(3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol

C10H11F4NO — CID 171227356

IUPAC(3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol
SMILESN[C@@H](CCO)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C10H11F4NO/c11-7-3-1-2-6(10(12,13)14)9(7)8(15)4-5-16/h1-3,8,16H,4-5,15H2/t8-/m0/s1
InChIKeyAORJHECBDUIXKH-QMMMGPOBSA-N
MW237.20 g/mol
LogP2.23
Rot. Bonds3

About (3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol

(3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 171227356) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is (3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID171227356
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name(3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol
SMILESN[C@@H](CCO)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C10H11F4NO/c11-7-3-1-2-6(10(12,13)14)9(7)8(15)4-5-16/h1-3,8,16H,4-5,15H2/t8-/m0/s1
InChIKeyAORJHECBDUIXKH-QMMMGPOBSA-N
XLogP2.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propane-1,3-diamine;hydrochloride
CID 171227307
2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
CID 77129940
(1S)-4,4,4-trifluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]butan-1-amine
CID 171227329
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171227351
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]pent-4-en-1-amine;hydrochloride
CID 171227345
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171227313
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171227323
(3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol
CID 130706379
(3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propanenitrile
CID 131439359
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]-3-methylbut-3-en-1-amine;hydrochloride
CID 171227347
(2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol
CID 66515831
(3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171223240

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of (3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol (CID 171227356) is (3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for (3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol is N[C@@H](CCO)c1c(F)cccc1C(F)(F)F.
What is the InChIKey of (3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is AORJHECBDUIXKH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11F4NO/c11-7-3-1-2-6(10(12,13)14)9(7)8(15)4-5-16/h1-3,8,16H,4-5,15H2/t8-/m0/s1.
What are the key properties of (3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol?
(3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 237.20 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 171227356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).