2,5-dichloro-4-(difluoromethyl)phenol

C7H4Cl2F2O — CID 119008857

IUPAC2,5-dichloro-4-(difluoromethyl)phenol
SMILESOc1cc(Cl)c(C(F)F)cc1Cl
InChIInChI=1S/C7H4Cl2F2O/c8-4-2-6(12)5(9)1-3(4)7(10)11/h1-2,7,12H
InChIKeyIHSFSXFIXAPOAE-UHFFFAOYSA-N
MW213.01 g/mol
LogP3.64
Rot. Bonds1

About 2,5-dichloro-4-(difluoromethyl)phenol

2,5-dichloro-4-(difluoromethyl)phenol (PubChem CID 119008857) has the molecular formula C7H4Cl2F2O and a molecular weight of 213.01 g/mol. Its IUPAC name is 2,5-dichloro-4-(difluoromethyl)phenol.

Molecular Properties

Compound Name2,5-dichloro-4-(difluoromethyl)phenol
PubChem CID119008857
Molecular FormulaC7H4Cl2F2O
Molecular Weight213.01 g/mol
Exact Mass211.96
IUPAC Name2,5-dichloro-4-(difluoromethyl)phenol
SMILESOc1cc(Cl)c(C(F)F)cc1Cl
InChIInChI=1S/C7H4Cl2F2O/c8-4-2-6(12)5(9)1-3(4)7(10)11/h1-2,7,12H
InChIKeyIHSFSXFIXAPOAE-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.01
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-4-(difluoromethyl)-2-methylphenol;ethane
CID 163241199
2-tert-butyl-5-chloro-4-(difluoromethyl)phenol
CID 167323133
1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone
CID 171007258
4-chloro-2-(difluoromethyl)-5-fluorophenol
CID 84667188
2-(2,5-dichloro-4-hydroxyphenyl)-2-hydroxyacetic acid
CID 119022274
2-chloro-5-fluorobenzene-1,4-diol
CID 45119169
2,5-dichloro-4-fluorophenol
CID 3535760
2-(2-chloro-4,5-dihydroxyphenyl)-2-fluoroacetaldehyde
CID 105456921
2-chloro-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84662920
1-(2,5-dichloro-4-hydroxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171874050
4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877633
2-[(1S)-1-aminoethyl]-4,5-dichlorophenol
CID 96708426

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(difluoromethyl)phenol?
The IUPAC name of 2,5-dichloro-4-(difluoromethyl)phenol (CID 119008857) is 2,5-dichloro-4-(difluoromethyl)phenol.
What is the SMILES notation for 2,5-dichloro-4-(difluoromethyl)phenol?
The canonical SMILES for 2,5-dichloro-4-(difluoromethyl)phenol is Oc1cc(Cl)c(C(F)F)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-(difluoromethyl)phenol?
The InChIKey is IHSFSXFIXAPOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2O/c8-4-2-6(12)5(9)1-3(4)7(10)11/h1-2,7,12H.
What are the key properties of 2,5-dichloro-4-(difluoromethyl)phenol?
2,5-dichloro-4-(difluoromethyl)phenol has a molecular weight of 213.01 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(difluoromethyl)phenol is sourced from PubChem (CID 119008857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).