(2R)-1,1,1-trifluoropentan-2-ol

C5H9F3O — CID 13299815

IUPAC(2R)-1,1,1-trifluoropentan-2-ol
SMILESCCC[C@@H](O)C(F)(F)F
InChIInChI=1S/C5H9F3O/c1-2-3-4(9)5(6,7)8/h4,9H,2-3H2,1H3/t4-/m1/s1
InChIKeyJSXJROCLUIYGSE-SCSAIBSYSA-N
MW142.12 g/mol
LogP1.71
Rot. Bonds2

About (2R)-1,1,1-trifluoropentan-2-ol

(2R)-1,1,1-trifluoropentan-2-ol (PubChem CID 13299815) has the molecular formula C5H9F3O and a molecular weight of 142.12 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoropentan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoropentan-2-ol
PubChem CID13299815
Molecular FormulaC5H9F3O
Molecular Weight142.12 g/mol
Exact Mass142.06
IUPAC Name(2R)-1,1,1-trifluoropentan-2-ol
SMILESCCC[C@@H](O)C(F)(F)F
InChIInChI=1S/C5H9F3O/c1-2-3-4(9)5(6,7)8/h4,9H,2-3H2,1H3/t4-/m1/s1
InChIKeyJSXJROCLUIYGSE-SCSAIBSYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(2S)-4-amino-1,1,1-trifluorobutan-2-ol
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1,1,1-tris(sulfanyl)pentan-2-ol
CID 89422336
(2R)-1,1,1-trifluoro-7-methyloctan-2-ol
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1,1,1-trifluoro-6-nonoxyhexan-2-ol
CID 139609821
1,1,1-trifluoro-8-pentoxyoctan-2-ol
CID 139609867
(2R,3S)-3-amino-1,1,1-trifluorohexan-2-ol
CID 93492915
2-chloro-2-methylhexan-3-ol
CID 130124789
(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol
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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoropentan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoropentan-2-ol (CID 13299815) is (2R)-1,1,1-trifluoropentan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoropentan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoropentan-2-ol is CCC[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoropentan-2-ol?
The InChIKey is JSXJROCLUIYGSE-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9F3O/c1-2-3-4(9)5(6,7)8/h4,9H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoropentan-2-ol?
(2R)-1,1,1-trifluoropentan-2-ol has a molecular weight of 142.12 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoropentan-2-ol is sourced from PubChem (CID 13299815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).