(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol

C7H13F3O — CID 58361159

IUPAC(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)C[C@H](O)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-6(2,3)4-5(11)7(8,9)10/h5,11H,4H2,1-3H3/t5-/m0/s1
InChIKeyKQBICAPIVTXZKU-YFKPBYRVSA-N
MW170.17 g/mol
LogP2.35
Rot. Bonds1

About (2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol

(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol (PubChem CID 58361159) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol
PubChem CID58361159
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)C[C@H](O)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-6(2,3)4-5(11)7(8,9)10/h5,11H,4H2,1-3H3/t5-/m0/s1
InChIKeyKQBICAPIVTXZKU-YFKPBYRVSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-Trifluoro-3,3-dimethylbutan-2-ol
CID 10866578
(3,3-Difluoro-1-methyl-cyclobutyl)methanol
CID 58564885
4,4,4-Trifluoro-3,3-dimethylbutan-1-ol
CID 118496722
1-[1-(Trifluoromethyl)cyclopropyl]ethan-1-ol
CID 121310065
2-(Difluoromethyl)-2-methylbutan-1-ol
CID 129071005
(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-ol
CID 59192728
4-Fluoro-4-methylpentan-2-ol
CID 10057490
3,3-Difluoro-4,4-dimethylpentan-1-ol
CID 105429698
2-Ethyl-2-(trifluoromethyl)butan-1-ol
CID 122163203
3,3-Difluoro-2,2-dimethylpentan-1-ol
CID 122163823
1,1,1-Trifluoro-4-methyl-2,2-bis(trifluoromethyl)pentan-3-ol
CID 23262389
1,1,1-Trifluoro-5,5-dimethylhexan-2-ol
CID 62962057

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol (CID 58361159) is (2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol is CC(C)(C)C[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol?
The InChIKey is KQBICAPIVTXZKU-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13F3O/c1-6(2,3)4-5(11)7(8,9)10/h5,11H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol?
(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol has a molecular weight of 170.17 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 58361159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).