(2R,3S)-3-amino-1,1,1-trifluorohexan-2-ol

C6H12F3NO — CID 93492915

IUPAC(2R,3S)-3-amino-1,1,1-trifluorohexan-2-ol
SMILESCCC[C@H](N)[C@@H](O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-3-4(10)5(11)6(7,8)9/h4-5,11H,2-3,10H2,1H3/t4-,5+/m0/s1
InChIKeyARBRDSKDRRVOTN-CRCLSJGQSA-N
MW171.16 g/mol
LogP1.04
Rot. Bonds3

About (2R,3S)-3-amino-1,1,1-trifluorohexan-2-ol

(2R,3S)-3-amino-1,1,1-trifluorohexan-2-ol (PubChem CID 93492915) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is (2R,3S)-3-amino-1,1,1-trifluorohexan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-amino-1,1,1-trifluorohexan-2-ol
PubChem CID93492915
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name(2R,3S)-3-amino-1,1,1-trifluorohexan-2-ol
SMILESCCC[C@H](N)[C@@H](O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-3-4(10)5(11)6(7,8)9/h4-5,11H,2-3,10H2,1H3/t4-,5+/m0/s1
InChIKeyARBRDSKDRRVOTN-CRCLSJGQSA-N
XLogP1.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1,1,1-trifluoroheptan-2-ol
CID 22121539
(4R,5R)-octane-4,5-diamine
CID 13138963
(2R)-1,1,1-trifluoropentan-2-amine
CID 56604220
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815
ethyl (2R,3S)-2-amino-4,4,4-trifluoro-3-hydroxybutanoate
CID 118989031
(2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride
CID 24797122
(2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide
CID 86762421
diethyl 2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]propanedioate
CID 129383390
tert-butyl N-[(4S,5S)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]carbamate
CID 92982229
acetyl fluoride;1-aminobutan-1-ol
CID 174904126
ethyl (2R,3S)-4,4,4-trifluoro-3-hydroxy-2-methylbutanoate
CID 7154340
(2S,3S)-3-amino-2-hydroxyhexanoic acid
CID 11205843

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-1,1,1-trifluorohexan-2-ol?
The IUPAC name of (2R,3S)-3-amino-1,1,1-trifluorohexan-2-ol (CID 93492915) is (2R,3S)-3-amino-1,1,1-trifluorohexan-2-ol.
What is the SMILES notation for (2R,3S)-3-amino-1,1,1-trifluorohexan-2-ol?
The canonical SMILES for (2R,3S)-3-amino-1,1,1-trifluorohexan-2-ol is CCC[C@H](N)[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R,3S)-3-amino-1,1,1-trifluorohexan-2-ol?
The InChIKey is ARBRDSKDRRVOTN-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-2-3-4(10)5(11)6(7,8)9/h4-5,11H,2-3,10H2,1H3/t4-,5+/m0/s1.
What are the key properties of (2R,3S)-3-amino-1,1,1-trifluorohexan-2-ol?
(2R,3S)-3-amino-1,1,1-trifluorohexan-2-ol has a molecular weight of 171.16 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-1,1,1-trifluorohexan-2-ol is sourced from PubChem (CID 93492915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).