(3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane

C10H19F3 — CID 146228126

IUPAC(3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane
SMILESCC(C)[C@@H](CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H19F3/c1-7(2)8(9(3,4)5)6-10(11,12)13/h7-8H,6H2,1-5H3/t8-/m1/s1
InChIKeyULCRHVKBBMYUOJ-MRVPVSSYSA-N
MW196.26 g/mol
LogP4.26
Rot. Bonds2

About (3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane

(3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane (PubChem CID 146228126) has the molecular formula C10H19F3 and a molecular weight of 196.26 g/mol. Its IUPAC name is (3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane.

Molecular Properties

Compound Name(3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane
PubChem CID146228126
Molecular FormulaC10H19F3
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC Name(3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane
SMILESCC(C)[C@@H](CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H19F3/c1-7(2)8(9(3,4)5)6-10(11,12)13/h7-8H,6H2,1-5H3/t8-/m1/s1
InChIKeyULCRHVKBBMYUOJ-MRVPVSSYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Tri-t-butyl fluoromethane
CID 85566353
2,4-Dimethyl-3-(trifluoromethyl)pentane
CID 19768880
2-Fluoro-2,3,4,4-tetramethylpentane
CID 19918806
2,2-Difluoro-3,4-dimethylhexane
CID 20576355
2,2,5,5-Tetramethyl-3-(trifluoromethyl)hexane
CID 20625080
3-Ethyl-1,1,1,4,4,5-hexafluoro-2,3-bis(trifluoromethyl)pentane
CID 20633699
2-Fluoro-2,3,3,4-tetramethylpentane
CID 21024989
1,1-Difluoro-3,3-di(propan-2-yl)cyclobutane
CID 21068514
1,1,1-Trifluoro-2,2,4,4-tetramethylpentane
CID 23556495
1,1,1-Trifluoro-2,2,3-tris(trifluoromethyl)hexane
CID 54178514
2,2-Dimethyl-3-(trifluoromethyl)hexane
CID 57088732
1,1,1-Trifluoro-2,3,3-trimethylpentane
CID 57109358

Frequently Asked Questions

What is the IUPAC name of (3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane?
The IUPAC name of (3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane (CID 146228126) is (3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane.
What is the SMILES notation for (3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane?
The canonical SMILES for (3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane is CC(C)[C@@H](CC(F)(F)F)C(C)(C)C.
What is the InChIKey of (3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane?
The InChIKey is ULCRHVKBBMYUOJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19F3/c1-7(2)8(9(3,4)5)6-10(11,12)13/h7-8H,6H2,1-5H3/t8-/m1/s1.
What are the key properties of (3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane?
(3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane has a molecular weight of 196.26 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane is sourced from PubChem (CID 146228126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).