4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol

C15H13F4NO — CID 107694477

IUPAC4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
SMILESCc1ccc(C(F)(F)F)cc1NCc1cc(F)ccc1O
InChIInChI=1S/C15H13F4NO/c1-9-2-3-11(15(17,18)19)7-13(9)20-8-10-6-12(16)4-5-14(10)21/h2-7,20-21H,8H2,1H3
InChIKeyQCDNLSFCLDLHNT-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.47
Rot. Bonds3

About 4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol

4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol (PubChem CID 107694477) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
PubChem CID107694477
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
SMILESCc1ccc(C(F)(F)F)cc1NCc1cc(F)ccc1O
InChIInChI=1S/C15H13F4NO/c1-9-2-3-11(15(17,18)19)7-13(9)20-8-10-6-12(16)4-5-14(10)21/h2-7,20-21H,8H2,1H3
InChIKeyQCDNLSFCLDLHNT-UHFFFAOYSA-N
XLogP4.47
TPSA32.26 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 ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
CID 107737917
2-[(5-bromo-2-methylanilino)methyl]-4-fluorophenol
CID 103947747
2-methyl-6-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
CID 115951717
4-[(5-fluoro-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103952997
4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol
CID 63463410
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480735
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
2-[(2-tert-butylanilino)methyl]-4-fluorophenol
CID 107694289
2-[[3-bromo-5-(trifluoromethyl)anilino]methyl]-4-fluorophenol
CID 107694465
2-[(2,5-dimethyl-4-nitroanilino)methyl]-4-fluorophenol
CID 107694590
2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 43312527
2-[(4,5-dimethyl-2-nitroanilino)methyl]-4-fluorophenol
CID 107694431

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol (CID 107694477) is 4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol is Cc1ccc(C(F)(F)F)cc1NCc1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol?
The InChIKey is QCDNLSFCLDLHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-9-2-3-11(15(17,18)19)7-13(9)20-8-10-6-12(16)4-5-14(10)21/h2-7,20-21H,8H2,1H3.
What are the key properties of 4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol?
4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol has a molecular weight of 299.27 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol is sourced from PubChem (CID 107694477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).