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

C14H10ClF4NO — CID 114318204

IUPAC3-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol
SMILESOc1cccc(Cl)c1CNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H10ClF4NO/c15-10-2-1-3-13(21)9(10)7-20-12-6-8(14(17,18)19)4-5-11(12)16/h1-6,20-21H,7H2
InChIKeyFWJFOSDBYKEZIR-UHFFFAOYSA-N
MW319.69 g/mol
LogP4.82
Rot. Bonds3

About 3-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol

3-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol (PubChem CID 114318204) has the molecular formula C14H10ClF4NO and a molecular weight of 319.69 g/mol. Its IUPAC name is 3-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol
PubChem CID114318204
Molecular FormulaC14H10ClF4NO
Molecular Weight319.69 g/mol
Exact Mass319.04
IUPAC Name3-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol
SMILESOc1cccc(Cl)c1CNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H10ClF4NO/c15-10-2-1-3-13(21)9(10)7-20-12-6-8(14(17,18)19)4-5-11(12)16/h1-6,20-21H,7H2
InChIKeyFWJFOSDBYKEZIR-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

4-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol
CID 63463410
3-chloro-2-[(2-fluoro-5-methoxyanilino)methyl]phenol
CID 114318245
2-[(2-bromo-4-chloroanilino)methyl]-3-chlorophenol
CID 114318253
N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 28879400
2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 63036121
N-[(3-bromophenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463412
N-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63036832
2-[(2-bromo-5-fluoroanilino)methyl]-3-chlorophenol
CID 107633445
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
CID 43555320
3-chloro-2-[[2-(trifluoromethylsulfanyl)anilino]methyl]phenol
CID 114317962
2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 115982770
3-chloro-2-[(2,3,4,5,6-pentafluoroanilino)methyl]phenol
CID 115564169

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol?
The IUPAC name of 3-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol (CID 114318204) is 3-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol.
What is the SMILES notation for 3-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol?
The canonical SMILES for 3-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol is Oc1cccc(Cl)c1CNc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 3-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol?
The InChIKey is FWJFOSDBYKEZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4NO/c15-10-2-1-3-13(21)9(10)7-20-12-6-8(14(17,18)19)4-5-11(12)16/h1-6,20-21H,7H2.
What are the key properties of 3-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol?
3-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 3-chloro-2-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenol is sourced from PubChem (CID 114318204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).