3-ethyl-1,1,1-trifluoropentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane)

C94H169F45 — CID 163945435

IUPAC3-ethyl-1,1,1-trifluoropentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane)
SMILESCC(C)(C)C(C)(C)C(F)(F)F.CC(C)C(C)(C)C(F)(F)F.CC(C)CC(C(F)(F)F)C(F)(F)F.CC(C)[C@@H](C)C(C)C(F)(F)F.CC(C)[C@@H](C)C(C)C(F)(F)F.CCC(C)(C)CC(F)(F)F.CCC(C)[C@@H](C)C(F)(F)F.CCC(CC)CC(F)(F)F.CCCC(C)(C)C(F)(F)F.CCCCC(C(F)(F)F)C(F)(F)F.CCCC[C@H](C)C(F)(F)F.CCC[C@H](C)CC(F)(F)F.CC[C@H](C)C(C)C(F)(F)F
InChIInChI=1S/3C8H15F3.2C7H10F6.8C7H13F3/c1-6(2,3)7(4,5)8(9,10)11;2*1-5(2)6(3)7(4)8(9,10)11;1-4(2)3-5(6(8,9)10)7(11,12)13;1-2-3-4-5(6(8,9)10)7(11,12)13;1-5(2)6(3,4)7(8,9)10;1-4-6(2,3)5-7(8,9)10;1-4-5-6(2,3)7(8,9)10;2*1-4-5(2)6(3)7(8,9)10;1-3-4-6(2)5-7(8,9)10;1-3-4-5-6(2)7(8,9)10;1-3-6(4-2)5-7(8,9)10/h1-5H3;2*5-7H,1-4H3;4-5H,3H2,1-2H3;5H,2-4H2,1H3;5H,1-4H3;2*4-5H2,1-3H3;2*5-6H,4H2,1-3H3;3*6H,3-5H2,1-2H3/t;2*6-,7?;;;;;;5?,6-;5-,6?;2*6-;/m.11.....1000./s1
InChIKeyRURGDODCTSWDLB-LUIBLNCJSA-N
MW2154.30 g/mol
LogP44.83
Rot. Bonds27

About 3-ethyl-1,1,1-trifluoropentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane)

3-ethyl-1,1,1-trifluoropentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane) (PubChem CID 163945435) has the molecular formula C94H169F45 and a molecular weight of 2154.30 g/mol. Its IUPAC name is 3-ethyl-1,1,1-trifluoropentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane).

Molecular Properties

Compound Name3-ethyl-1,1,1-trifluoropentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane)
PubChem CID163945435
Molecular FormulaC94H169F45
Molecular Weight2154.30 g/mol
Exact Mass2153.25
IUPAC Name3-ethyl-1,1,1-trifluoropentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane)
SMILESCC(C)(C)C(C)(C)C(F)(F)F.CC(C)C(C)(C)C(F)(F)F.CC(C)CC(C(F)(F)F)C(F)(F)F.CC(C)[C@@H](C)C(C)C(F)(F)F.CC(C)[C@@H](C)C(C)C(F)(F)F.CCC(C)(C)CC(F)(F)F.CCC(C)[C@@H](C)C(F)(F)F.CCC(CC)CC(F)(F)F.CCCC(C)(C)C(F)(F)F.CCCCC(C(F)(F)F)C(F)(F)F.CCCC[C@H](C)C(F)(F)F.CCC[C@H](C)CC(F)(F)F.CC[C@H](C)C(C)C(F)(F)F
InChIInChI=1S/3C8H15F3.2C7H10F6.8C7H13F3/c1-6(2,3)7(4,5)8(9,10)11;2*1-5(2)6(3)7(4)8(9,10)11;1-4(2)3-5(6(8,9)10)7(11,12)13;1-2-3-4-5(6(8,9)10)7(11,12)13;1-5(2)6(3,4)7(8,9)10;1-4-6(2,3)5-7(8,9)10;1-4-5-6(2,3)7(8,9)10;2*1-4-5(2)6(3)7(8,9)10;1-3-4-6(2)5-7(8,9)10;1-3-4-5-6(2)7(8,9)10;1-3-6(4-2)5-7(8,9)10/h1-5H3;2*5-7H,1-4H3;4-5H,3H2,1-2H3;5H,2-4H2,1H3;5H,1-4H3;2*4-5H2,1-3H3;2*5-6H,4H2,1-3H3;3*6H,3-5H2,1-2H3/t;2*6-,7?;;;;;;5?,6-;5-,6?;2*6-;/m.11.....1000./s1
InChIKeyRURGDODCTSWDLB-LUIBLNCJSA-N
XLogP44.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002154.30
LogP ≤ 544.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-ethyl-1,1,1-trifluoropentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1,1-trifluoropentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane)?
The IUPAC name of 3-ethyl-1,1,1-trifluoropentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane) (CID 163945435) is 3-ethyl-1,1,1-trifluoropentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane).
What is the SMILES notation for 3-ethyl-1,1,1-trifluoropentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane)?
The canonical SMILES for 3-ethyl-1,1,1-trifluoropentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane) is CC(C)(C)C(C)(C)C(F)(F)F.CC(C)C(C)(C)C(F)(F)F.CC(C)CC(C(F)(F)F)C(F)(F)F.CC(C)[C@@H](C)C(C)C(F)(F)F.CC(C)[C@@H](C)C(C)C(F)(F)F.CCC(C)(C)CC(F)(F)F.CCC(C)[C@@H](C)C(F)(F)F.CCC(CC)CC(F)(F)F.CCCC(C)(C)C(F)(F)F.CCCCC(C(F)(F)F)C(F)(F)F.CCCC[C@H](C)C(F)(F)F.CCC[C@H](C)CC(F)(F)F.CC[C@H](C)C(C)C(F)(F)F.
What is the InChIKey of 3-ethyl-1,1,1-trifluoropentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane)?
The InChIKey is RURGDODCTSWDLB-LUIBLNCJSA-N. The full InChI is InChI=1S/3C8H15F3.2C7H10F6.8C7H13F3/c1-6(2,3)7(4,5)8(9,10)11;2*1-5(2)6(3)7(4)8(9,10)11;1-4(2)3-5(6(8,9)10)7(11,12)13;1-2-3-4-5(6(8,9)10)7(11,12)13;1-5(2)6(3,4)7(8,9)10;1-4-6(2,3)5-7(8,9)10;1-4-5-6(2,3)7(8,9)10;2*1-4-5(2)6(3)7(8,9)10;1-3-4-6(2)5-7(8,9)10;1-3-4-5-6(2)7(8,9)10;1-3-6(4-2)5-7(8,9)10/h1-5H3;2*5-7H,1-4H3;4-5H,3H2,1-2H3;5H,2-4H2,1H3;5H,1-4H3;2*4-5H2,1-3H3;2*5-6H,4H2,1-3H3;3*6H,3-5H2,1-2H3/t;2*6-,7?;;;;;;5?,6-;5-,6?;2*6-;/m.11.....1000./s1.
What are the key properties of 3-ethyl-1,1,1-trifluoropentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane)?
3-ethyl-1,1,1-trifluoropentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane) has a molecular weight of 2154.30 g/mol, XLogP of 44.83, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1,1-trifluoropentane;1,1,1-trifluoro-2,2-dimethylpentane;1,1,1-trifluoro-3,3-dimethylpentane;(2R)-1,1,1-trifluoro-2,3-dimethylpentane;(3S)-1,1,1-trifluoro-2,3-dimethylpentane;(2S)-1,1,1-trifluoro-2-methylhexane;(3S)-1,1,1-trifluoro-3-methylhexane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-2,2,3,3-tetramethylbutane;1,1,1-trifluoro-2-(trifluoromethyl)hexane;1,1,1-trifluoro-2,2,3-trimethylbutane;bis((3R)-1,1,1-trifluoro-2,3,4-trimethylpentane) is sourced from PubChem (CID 163945435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).