(2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol

C11H13F3O — CID 138977962

IUPAC(2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
SMILESCC[C@](C)(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3O/c1-3-10(2,15)8-4-6-9(7-5-8)11(12,13)14/h4-7,15H,3H2,1-2H3/t10-/m0/s1
InChIKeyRRYSNSDXICTJMV-JTQLQIEISA-N
MW218.22 g/mol
LogP3.32
Rot. Bonds2

About (2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol

(2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol (PubChem CID 138977962) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is (2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol.

Molecular Properties

Compound Name(2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
PubChem CID138977962
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name(2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
SMILESCC[C@](C)(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3O/c1-3-10(2,15)8-4-6-9(7-5-8)11(12,13)14/h4-7,15H,3H2,1-2H3/t10-/m0/s1
InChIKeyRRYSNSDXICTJMV-JTQLQIEISA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-2-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62774941
1-selanyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 139265575
(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
2-methyl-3-[4-(trifluoromethyl)phenyl]pentan-3-ol
CID 62788141
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601210
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211
3-methyl-1-[4-(trifluoromethyl)phenyl]pentane-2,3-diol
CID 103448650
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]butan-1-one
CID 24724050
(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 146163800
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
2-[4-(2-methylpropyl)phenyl]butan-2-ol
CID 91656197

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol?
The IUPAC name of (2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol (CID 138977962) is (2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol.
What is the SMILES notation for (2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol?
The canonical SMILES for (2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol is CC[C@](C)(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol?
The InChIKey is RRYSNSDXICTJMV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13F3O/c1-3-10(2,15)8-4-6-9(7-5-8)11(12,13)14/h4-7,15H,3H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol?
(2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol has a molecular weight of 218.22 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol is sourced from PubChem (CID 138977962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).