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

C14H10ClF4NO — CID 63463410

IUPAC4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol
SMILESOc1ccc(Cl)cc1CNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H10ClF4NO/c15-10-2-4-13(21)8(5-10)7-20-12-6-9(14(17,18)19)1-3-11(12)16/h1-6,20-21H,7H2
InChIKeyVPTZNJTZNWUGNK-UHFFFAOYSA-N
MW319.69 g/mol
LogP4.82
Rot. Bonds3

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

4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol (PubChem CID 63463410) has the molecular formula C14H10ClF4NO and a molecular weight of 319.69 g/mol. Its IUPAC name is 4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol
PubChem CID63463410
Molecular FormulaC14H10ClF4NO
Molecular Weight319.69 g/mol
Exact Mass319.04
IUPAC Name4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol
SMILESOc1ccc(Cl)cc1CNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H10ClF4NO/c15-10-2-4-13(21)8(5-10)7-20-12-6-9(14(17,18)19)1-3-11(12)16/h1-6,20-21H,7H2
InChIKeyVPTZNJTZNWUGNK-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

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol
CID 114318204
2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 63036121
4-fluoro-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
CID 107694477
N-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63036832
2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 43312527
4-bromo-2-[[2-methyl-5-(trifluoromethyl)anilino]methyl]phenol
CID 107737917
N-(2-chloroprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63036670
4-chloro-2-[(2-methylsulfanylanilino)methyl]phenol
CID 43683485
5-chloro-2-fluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 43385725
2-[(2-bromo-4-chloroanilino)methyl]-4-fluorophenol
CID 107694491
N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381236
2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 115982770

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol?
The IUPAC name of 4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol (CID 63463410) is 4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol is Oc1ccc(Cl)cc1CNc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol?
The InChIKey is VPTZNJTZNWUGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4NO/c15-10-2-4-13(21)8(5-10)7-20-12-6-9(14(17,18)19)1-3-11(12)16/h1-6,20-21H,7H2.
What are the key properties of 4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol?
4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol 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-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol is sourced from PubChem (CID 63463410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).