(1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol

C12H13F4NO — CID 171159870

IUPAC(1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
SMILESN[C@H](c1ccc(F)c(C(F)(F)F)c1)[C@@H](O)C1CC1
InChIInChI=1S/C12H13F4NO/c13-9-4-3-7(5-8(9)12(14,15)16)10(17)11(18)6-1-2-6/h3-6,10-11,18H,1-2,17H2/t10-,11+/m1/s1
InChIKeyOQIUAMAITTXSOJ-MNOVXSKESA-N
MW263.23 g/mol
LogP2.62
Rot. Bonds3

About (1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol

(1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol (PubChem CID 171159870) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
PubChem CID171159870
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name(1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
SMILESN[C@H](c1ccc(F)c(C(F)(F)F)c1)[C@@H](O)C1CC1
InChIInChI=1S/C12H13F4NO/c13-9-4-3-7(5-8(9)12(14,15)16)10(17)11(18)6-1-2-6/h3-6,10-11,18H,1-2,17H2/t10-,11+/m1/s1
InChIKeyOQIUAMAITTXSOJ-MNOVXSKESA-N
XLogP2.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-1-cyclopentyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171159865
(1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol
CID 171267876
(S)-cyclopentyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 171222169
(1R,2S)-2-amino-2-[3-chloro-4-(trifluoromethyl)phenyl]-1-cyclobutylethanol
CID 171271379
cycloheptyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 105027734
(1R,2S)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-2-ol
CID 171159873
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol
CID 107288498
(1S,2R)-2-amino-1-cyclopropyl-2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanol
CID 171263546
(1S,2R)-2-amino-2-[3-chloro-4-(trifluoromethyl)phenyl]-1-cyclobutylethanol;hydrochloride
CID 171265706
(1R,2S)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-2-ol;hydrochloride
CID 171159874
(1S)-2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171222160
(1R,2S)-2-amino-1-cyclopropyl-2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171269220

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol (CID 171159870) is (1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol is N[C@H](c1ccc(F)c(C(F)(F)F)c1)[C@@H](O)C1CC1.
What is the InChIKey of (1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is OQIUAMAITTXSOJ-MNOVXSKESA-N. The full InChI is InChI=1S/C12H13F4NO/c13-9-4-3-7(5-8(9)12(14,15)16)10(17)11(18)6-1-2-6/h3-6,10-11,18H,1-2,17H2/t10-,11+/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol?
(1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 263.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 171159870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).