[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol

C15H13F4NO — CID 115969641

IUPAC[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F4NO/c16-14-6-5-12(7-13(14)15(17,18)19)20-8-10-1-3-11(9-21)4-2-10/h1-7,20-21H,8-9H2
InChIKeyDDJKLDKTXXDBLV-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.95
Rot. Bonds4

About [4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol

[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol (PubChem CID 115969641) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is [4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol
PubChem CID115969641
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ccc(F)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F4NO/c16-14-6-5-12(7-13(14)15(17,18)19)20-8-10-1-3-11(9-21)4-2-10/h1-7,20-21H,8-9H2
InChIKeyDDJKLDKTXXDBLV-UHFFFAOYSA-N
XLogP3.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]benzene-1,2-diol
CID 61229965
N-[(4-chloro-3-fluorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 63454905
N-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939476
4-bromo-N-[(3,4-difluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 43230401
4-bromo-3-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline
CID 107619278
4-N-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 43115470
2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
CID 66270955
3-[4-fluoro-3-(trifluoromethyl)anilino]propanoic acid
CID 61228436
3-chloro-5-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline
CID 107363910
4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol
CID 107685350
2-[4-fluoro-3-(trifluoromethyl)anilino]acetonitrile
CID 61229789
N-[(1-ethenylpyrazol-4-yl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 106936642

Frequently Asked Questions

What is the IUPAC name of [4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol?
The IUPAC name of [4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol (CID 115969641) is [4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol is OCc1ccc(CNc2ccc(F)c(C(F)(F)F)c2)cc1.
What is the InChIKey of [4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol?
The InChIKey is DDJKLDKTXXDBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c16-14-6-5-12(7-13(14)15(17,18)19)20-8-10-1-3-11(9-21)4-2-10/h1-7,20-21H,8-9H2.
What are the key properties of [4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol?
[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol has a molecular weight of 299.27 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]methanol is sourced from PubChem (CID 115969641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).