4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol

C14H10ClF4NO — CID 107685350

IUPAC4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol
SMILESOc1ccc(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1F
InChIInChI=1S/C14H10ClF4NO/c15-11-3-2-9(6-10(11)14(17,18)19)20-7-8-1-4-13(21)12(16)5-8/h1-6,20-21H,7H2
InChIKeyALQYPRWRVSOHQL-UHFFFAOYSA-N
MW319.69 g/mol
LogP4.82
Rot. Bonds3

About 4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol

4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol (PubChem CID 107685350) has the molecular formula C14H10ClF4NO and a molecular weight of 319.69 g/mol. Its IUPAC name is 4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol
PubChem CID107685350
Molecular FormulaC14H10ClF4NO
Molecular Weight319.69 g/mol
Exact Mass319.04
IUPAC Name4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol
SMILESOc1ccc(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1F
InChIInChI=1S/C14H10ClF4NO/c15-11-3-2-9(6-10(11)14(17,18)19)20-7-8-1-4-13(21)12(16)5-8/h1-6,20-21H,7H2
InChIKeyALQYPRWRVSOHQL-UHFFFAOYSA-N
XLogP4.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.69
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 63645341
N-[(4-chloro-3-fluorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 63454905
4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]benzene-1,2-diol
CID 61229965
2-chloro-4-[(4-chloro-3-fluorophenyl)methylamino]phenol
CID 107678415
2-chloro-5-[(3-fluoro-4-hydroxyphenyl)methylamino]benzoic acid
CID 107685555
4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]benzene-1,3-diol
CID 43245798
4-[(4-chloro-3-fluoroanilino)methyl]benzene-1,2-diol
CID 43721424
2-chloro-6-[[4-chloro-3-(trifluoromethyl)anilino]methyl]phenol
CID 115951042
4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]benzonitrile
CID 43034901
4-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 114841520
4-[(3-bromo-4-fluoroanilino)methyl]-2-fluorophenol
CID 107686001
4-[[4-bromo-3-(trifluoromethyl)anilino]methyl]benzene-1,2-diol
CID 43680396

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol?
The IUPAC name of 4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol (CID 107685350) is 4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol.
What is the SMILES notation for 4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol?
The canonical SMILES for 4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol is Oc1ccc(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1F.
What is the InChIKey of 4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol?
The InChIKey is ALQYPRWRVSOHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4NO/c15-11-3-2-9(6-10(11)14(17,18)19)20-7-8-1-4-13(21)12(16)5-8/h1-6,20-21H,7H2.
What are the key properties of 4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol?
4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol has a molecular weight of 319.69 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol is sourced from PubChem (CID 107685350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).