1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane

C13H25F3 — CID 170180258

IUPAC1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane
SMILESCC(C)C(C(C)C)C(C)(C)C(C)C(F)(F)F
InChIInChI=1S/C13H25F3/c1-8(2)11(9(3)4)12(6,7)10(5)13(14,15)16/h8-11H,1-7H3
InChIKeyXCHNLXRZIIIQGU-UHFFFAOYSA-N
MW238.34 g/mol
LogP5.14
Rot. Bonds4

About 1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane

1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane (PubChem CID 170180258) has the molecular formula C13H25F3 and a molecular weight of 238.34 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane.

Molecular Properties

Compound Name1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane
PubChem CID170180258
Molecular FormulaC13H25F3
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane
SMILESCC(C)C(C(C)C)C(C)(C)C(C)C(F)(F)F
InChIInChI=1S/C13H25F3/c1-8(2)11(9(3)4)12(6,7)10(5)13(14,15)16/h8-11H,1-7H3
InChIKeyXCHNLXRZIIIQGU-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.34
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 89330096
1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 158463707
methane;1,1,1-trifluoro-2,3-dimethylbutane
CID 157393455
3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane
CID 166136871
(2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane
CID 155394559
1,1,1-trifluoropropan-2-ylphosphane
CID 174317925
(3R)-3-chloro-1,1,1-trifluoro-2-methylbutane
CID 126498580
3-deuterio-1,1,1,5,5,5-hexafluoro-2,3,4-trimethylpentane
CID 169301185
1,1,1-trifluoro-3,3-dimethylbutan-2-amine
CID 53414766
(2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane
CID 23236245
(2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol
CID 126592685
2-chloro-2-fluoro-3-methylbutane
CID 88897527

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane?
The IUPAC name of 1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane (CID 170180258) is 1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane.
What is the SMILES notation for 1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane?
The canonical SMILES for 1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane is CC(C)C(C(C)C)C(C)(C)C(C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane?
The InChIKey is XCHNLXRZIIIQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3/c1-8(2)11(9(3)4)12(6,7)10(5)13(14,15)16/h8-11H,1-7H3.
What are the key properties of 1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane?
1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane has a molecular weight of 238.34 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane is sourced from PubChem (CID 170180258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).