2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanol

C15H13F4NO — CID 115350271

IUPAC2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanol
SMILESNC(c1ccccc1)C(O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H13F4NO/c16-12-7-10(6-11(8-12)15(17,18)19)14(21)13(20)9-4-2-1-3-5-9/h1-8,13-14,21H,20H2
InChIKeyDNGVDFBPQTXCFM-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.58
Rot. Bonds3

About 2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanol

2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanol (PubChem CID 115350271) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanol.

Molecular Properties

Compound Name2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanol
PubChem CID115350271
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanol
SMILESNC(c1ccccc1)C(O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H13F4NO/c16-12-7-10(6-11(8-12)15(17,18)19)14(21)13(20)9-4-2-1-3-5-9/h1-8,13-14,21H,20H2
InChIKeyDNGVDFBPQTXCFM-UHFFFAOYSA-N
XLogP3.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131320049
1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 18543066
(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978
(1S,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171268937
(1R,2S)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171263263
(1R,2R)-2-amino-1,2-diphenylethanol;hydrochloride
CID 145453159
2-amino-1-(3,4-difluorophenyl)-2-phenylethanol
CID 62718129
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 79021468
(1S,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171268942
2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 123373360
(1R,2R)-1,2-bis[3,5-bis(trifluoromethyl)phenyl]ethane-1,2-diol
CID 101179006

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanol?
The IUPAC name of 2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanol (CID 115350271) is 2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanol.
What is the SMILES notation for 2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanol?
The canonical SMILES for 2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanol is NC(c1ccccc1)C(O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanol?
The InChIKey is DNGVDFBPQTXCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c16-12-7-10(6-11(8-12)15(17,18)19)14(21)13(20)9-4-2-1-3-5-9/h1-8,13-14,21H,20H2.
What are the key properties of 2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanol?
2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanol has a molecular weight of 299.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanol is sourced from PubChem (CID 115350271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).