4-chloro-2-(difluoromethyl)-5-fluorophenol

C7H4ClF3O — CID 84667188

IUPAC4-chloro-2-(difluoromethyl)-5-fluorophenol
SMILESOc1cc(F)c(Cl)cc1C(F)F
InChIInChI=1S/C7H4ClF3O/c8-4-1-3(7(10)11)6(12)2-5(4)9/h1-2,7,12H
InChIKeyMAYAMYLKCAVIRB-UHFFFAOYSA-N
MW196.56 g/mol
LogP3.12
Rot. Bonds1

About 4-chloro-2-(difluoromethyl)-5-fluorophenol

4-chloro-2-(difluoromethyl)-5-fluorophenol (PubChem CID 84667188) has the molecular formula C7H4ClF3O and a molecular weight of 196.56 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-5-fluorophenol.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-5-fluorophenol
PubChem CID84667188
Molecular FormulaC7H4ClF3O
Molecular Weight196.56 g/mol
Exact Mass195.99
IUPAC Name4-chloro-2-(difluoromethyl)-5-fluorophenol
SMILESOc1cc(F)c(Cl)cc1C(F)F
InChIInChI=1S/C7H4ClF3O/c8-4-1-3(7(10)11)6(12)2-5(4)9/h1-2,7,12H
InChIKeyMAYAMYLKCAVIRB-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.56
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol
CID 77129858
2-(1-aminopropan-2-yl)-4-chloro-5-fluorophenol
CID 84777609
2,5-dichloro-4-(difluoromethyl)phenol
CID 119008857
2-[(1R)-1-amino-2-methylpropyl]-5-chloro-4-fluorophenol
CID 130699208
2-(5-chloro-4-fluoro-2-hydroxyphenyl)butanenitrile
CID 130134520
1-chloro-4-(difluoromethyl)-2-fluoro-5-iodobenzene
CID 171003742
2,5-dichloro-4-fluorophenol
CID 3535760
2-bromo-4-chloro-5-fluorophenol
CID 18997596
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-chloro-4-fluorophenol
CID 66511183
2-chloro-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84662920
1-chloro-5-(difluoromethyl)-4-fluoro-2-methylbenzene
CID 130776793
2-amino-2-(4-chloro-5-fluoro-2-hydroxyphenyl)acetic acid
CID 77128675

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-5-fluorophenol?
The IUPAC name of 4-chloro-2-(difluoromethyl)-5-fluorophenol (CID 84667188) is 4-chloro-2-(difluoromethyl)-5-fluorophenol.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-5-fluorophenol?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-5-fluorophenol is Oc1cc(F)c(Cl)cc1C(F)F.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-5-fluorophenol?
The InChIKey is MAYAMYLKCAVIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3O/c8-4-1-3(7(10)11)6(12)2-5(4)9/h1-2,7,12H.
What are the key properties of 4-chloro-2-(difluoromethyl)-5-fluorophenol?
4-chloro-2-(difluoromethyl)-5-fluorophenol has a molecular weight of 196.56 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-5-fluorophenol is sourced from PubChem (CID 84667188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).