(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol

C11H14F3NO — CID 174186051

IUPAC(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol
SMILESCC[C@@](N)(CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-2-10(15,7-16)8-4-3-5-9(6-8)11(12,13)14/h3-6,16H,2,7,15H2,1H3/t10-/m1/s1
InChIKeyYURXCIVKJJCSSS-SNVBAGLBSA-N
MW233.23 g/mol
LogP2.26
Rot. Bonds3

About (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol

(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol (PubChem CID 174186051) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol
PubChem CID174186051
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol
SMILESCC[C@@](N)(CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-2-10(15,7-16)8-4-3-5-9(6-8)11(12,13)14/h3-6,16H,2,7,15H2,1H3/t10-/m1/s1
InChIKeyYURXCIVKJJCSSS-SNVBAGLBSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(3-chlorophenyl)butan-1-ol
CID 61054421
(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 66678514
1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
CID 158487114
3-(3-aminopentan-3-yl)phenol
CID 23618552
2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 61050689
2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine
CID 116992517
CID 145487345
CID 145487345
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 114872417
2-amino-2-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 54979927
tert-butyl-[(2R)-1-hydroxy-2-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid
CID 66678385
2-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]butanoic acid;hydrochloride
CID 69068250
2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-one
CID 24724049

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol?
The IUPAC name of (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol (CID 174186051) is (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol.
What is the SMILES notation for (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol?
The canonical SMILES for (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol is CC[C@@](N)(CO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol?
The InChIKey is YURXCIVKJJCSSS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-2-10(15,7-16)8-4-3-5-9(6-8)11(12,13)14/h3-6,16H,2,7,15H2,1H3/t10-/m1/s1.
What are the key properties of (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol?
(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol has a molecular weight of 233.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]butan-1-ol is sourced from PubChem (CID 174186051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).