(1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol

C9H9F4NO — CID 129381916

IUPAC(1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol
SMILESNC[C@H](O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C9H9F4NO/c10-5-1-2-6(8(15)4-14)7(3-5)9(11,12)13/h1-3,8,15H,4,14H2/t8-/m0/s1
InChIKeyFZRNYBQHLHVVQI-QMMMGPOBSA-N
MW223.17 g/mol
LogP1.84
Rot. Bonds2

About (1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol

(1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol (PubChem CID 129381916) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is (1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol
PubChem CID129381916
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name(1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol
SMILESNC[C@H](O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C9H9F4NO/c10-5-1-2-6(8(15)4-14)7(3-5)9(11,12)13/h1-3,8,15H,4,14H2/t8-/m0/s1
InChIKeyFZRNYBQHLHVVQI-QMMMGPOBSA-N
XLogP1.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170828543
5,5,5-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]pentan-1-ol
CID 115515699
3-amino-2-[4-fluoro-2-(trifluoromethyl)phenyl]propanoic acid
CID 117116266
(1S)-2-fluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 131361853
(1S,2R)-1-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-ol
CID 131385611
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
1-(difluoromethyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 46311777
1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170820398
3-bromo-1-[4-fluoro-2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860504
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpentan-1-ol
CID 107892736
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 79021753
(1S)-4,4,4-trifluoro-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 171228633

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol (CID 129381916) is (1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol is NC[C@H](O)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of (1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is FZRNYBQHLHVVQI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9F4NO/c10-5-1-2-6(8(15)4-14)7(3-5)9(11,12)13/h1-3,8,15H,4,14H2/t8-/m0/s1.
What are the key properties of (1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol?
(1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 223.17 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 129381916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).