[2-[4-(trifluoromethyl)anilino]phenyl]methanediol

C14H12F3NO2 — CID 166685653

IUPAC[2-[4-(trifluoromethyl)anilino]phenyl]methanediol
SMILESOC(O)c1ccccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)9-5-7-10(8-6-9)18-12-4-2-1-3-11(12)13(19)20/h1-8,13,18-20H
InChIKeyUNEQSOXIEXFESY-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.43
Rot. Bonds3

About [2-[4-(trifluoromethyl)anilino]phenyl]methanediol

[2-[4-(trifluoromethyl)anilino]phenyl]methanediol (PubChem CID 166685653) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is [2-[4-(trifluoromethyl)anilino]phenyl]methanediol.

Molecular Properties

Compound Name[2-[4-(trifluoromethyl)anilino]phenyl]methanediol
PubChem CID166685653
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name[2-[4-(trifluoromethyl)anilino]phenyl]methanediol
SMILESOC(O)c1ccccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO2/c15-14(16,17)9-5-7-10(8-6-9)18-12-4-2-1-3-11(12)13(19)20/h1-8,13,18-20H
InChIKeyUNEQSOXIEXFESY-UHFFFAOYSA-N
XLogP3.43
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 91021616
1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol
CID 169108594
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
2-(2-bromoethynyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 143581893
2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 11617162
1-N,3-N,5-N-tris[2-[4-(trifluoromethyl)anilino]phenyl]benzene-1,3,5-tricarboxamide
CID 90291612
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
ethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide
CID 155713070
2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 169108707
5-N-(2-propan-2-ylphenyl)-3-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112964640
[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide
CID 175923781
N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108532679

Frequently Asked Questions

What is the IUPAC name of [2-[4-(trifluoromethyl)anilino]phenyl]methanediol?
The IUPAC name of [2-[4-(trifluoromethyl)anilino]phenyl]methanediol (CID 166685653) is [2-[4-(trifluoromethyl)anilino]phenyl]methanediol.
What is the SMILES notation for [2-[4-(trifluoromethyl)anilino]phenyl]methanediol?
The canonical SMILES for [2-[4-(trifluoromethyl)anilino]phenyl]methanediol is OC(O)c1ccccc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-[4-(trifluoromethyl)anilino]phenyl]methanediol?
The InChIKey is UNEQSOXIEXFESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c15-14(16,17)9-5-7-10(8-6-9)18-12-4-2-1-3-11(12)13(19)20/h1-8,13,18-20H.
What are the key properties of [2-[4-(trifluoromethyl)anilino]phenyl]methanediol?
[2-[4-(trifluoromethyl)anilino]phenyl]methanediol has a molecular weight of 283.25 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(trifluoromethyl)anilino]phenyl]methanediol is sourced from PubChem (CID 166685653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).