[3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol

C14H12F3NO — CID 146020152

IUPAC[3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol
SMILESNc1cc(CO)cc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)12-3-1-2-10(6-12)11-4-9(8-19)5-13(18)7-11/h1-7,19H,8,18H2
InChIKeyNNPMGFZFFFTACE-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.45
Rot. Bonds2

About [3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol

[3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol (PubChem CID 146020152) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is [3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol.

Molecular Properties

Compound Name[3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol
PubChem CID146020152
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name[3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol
SMILESNc1cc(CO)cc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)12-3-1-2-10(6-12)11-4-9(8-19)5-13(18)7-11/h1-7,19H,8,18H2
InChIKeyNNPMGFZFFFTACE-UHFFFAOYSA-N
XLogP3.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
CID 24729851
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170887677
3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid
CID 53225363
[2-fluoro-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 133089796
2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 10683160
[3-methyl-5-[3-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
CID 166611051
2-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 134629064
[4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 50961962
2-[4-amino-2-[3-(trifluoromethyl)phenyl]anilino]ethanol
CID 18371433
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
[3-amino-5-(2-aminophenyl)phenyl]methanol
CID 68786518

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol?
The IUPAC name of [3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol (CID 146020152) is [3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol.
What is the SMILES notation for [3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol?
The canonical SMILES for [3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol is Nc1cc(CO)cc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of [3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol?
The InChIKey is NNPMGFZFFFTACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-14(16,17)12-3-1-2-10(6-12)11-4-9(8-19)5-13(18)7-11/h1-7,19H,8,18H2.
What are the key properties of [3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol?
[3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol has a molecular weight of 267.25 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol is sourced from PubChem (CID 146020152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).