(3-aminophenyl)-[3-(trifluoromethyl)phenyl]methanol

C14H12F3NO — CID 106695737

IUPAC(3-aminophenyl)-[3-(trifluoromethyl)phenyl]methanol
SMILESNc1cccc(C(O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)11-5-1-3-9(7-11)13(19)10-4-2-6-12(18)8-10/h1-8,13,19H,18H2
InChIKeyZACYYFFFRYOUOL-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.37
Rot. Bonds2

About (3-aminophenyl)-[3-(trifluoromethyl)phenyl]methanol

(3-aminophenyl)-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 106695737) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is (3-aminophenyl)-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(3-aminophenyl)-[3-(trifluoromethyl)phenyl]methanol
PubChem CID106695737
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name(3-aminophenyl)-[3-(trifluoromethyl)phenyl]methanol
SMILESNc1cccc(C(O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)11-5-1-3-9(7-11)13(19)10-4-2-6-12(18)8-10/h1-8,13,19H,18H2
InChIKeyZACYYFFFRYOUOL-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (3-aminophenyl)-[3-(trifluoromethyl)phenyl]methanol (CID 106695737) is (3-aminophenyl)-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (3-aminophenyl)-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (3-aminophenyl)-[3-(trifluoromethyl)phenyl]methanol is Nc1cccc(C(O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of (3-aminophenyl)-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is ZACYYFFFRYOUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-14(16,17)11-5-1-3-9(7-11)13(19)10-4-2-6-12(18)8-10/h1-8,13,19H,18H2.
What are the key properties of (3-aminophenyl)-[3-(trifluoromethyl)phenyl]methanol?
(3-aminophenyl)-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 267.25 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 106695737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).