3-chloro-2,6-difluorophenol

C6H3ClF2O — CID 2773564

IUPAC3-chloro-2,6-difluorophenol
SMILESOc1c(F)ccc(Cl)c1F
InChIInChI=1S/C6H3ClF2O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
InChIKeyCCLYWHXHYLQWQK-UHFFFAOYSA-N
MW164.54 g/mol
LogP2.32
Rot. Bonds

About 3-chloro-2,6-difluorophenol

3-chloro-2,6-difluorophenol (PubChem CID 2773564) has the molecular formula C6H3ClF2O and a molecular weight of 164.54 g/mol. Its IUPAC name is 3-chloro-2,6-difluorophenol.

Molecular Properties

Compound Name3-chloro-2,6-difluorophenol
PubChem CID2773564
Molecular FormulaC6H3ClF2O
Molecular Weight164.54 g/mol
Exact Mass163.98
IUPAC Name3-chloro-2,6-difluorophenol
SMILESOc1c(F)ccc(Cl)c1F
InChIInChI=1S/C6H3ClF2O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H
InChIKeyCCLYWHXHYLQWQK-UHFFFAOYSA-N
XLogP2.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.54
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-Chlorophenol
CID 4684
3-Chlorophenol
CID 7933
2-Chlorophenol
CID 7245
3,5-Dichlorophenol
CID 11571
2-Chloro-6-fluorophenol
CID 2773710
2-Chloro-4-fluorophenol
CID 74814
2,3,4-Trifluorophenol
CID 123174
3-Chloro-4-fluorophenol
CID 75790
4-Chloro-2-fluorophenol
CID 181975
2,3,6-Trifluorophenol
CID 517988
4-Chloro-3-fluorophenol
CID 2724523
Phen-2,3,4,5-d4-ol, 6-chloro-
CID 16212938

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,6-difluorophenol?
The IUPAC name of 3-chloro-2,6-difluorophenol (CID 2773564) is 3-chloro-2,6-difluorophenol.
What is the SMILES notation for 3-chloro-2,6-difluorophenol?
The canonical SMILES for 3-chloro-2,6-difluorophenol is Oc1c(F)ccc(Cl)c1F.
What is the InChIKey of 3-chloro-2,6-difluorophenol?
The InChIKey is CCLYWHXHYLQWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF2O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H.
What are the key properties of 3-chloro-2,6-difluorophenol?
3-chloro-2,6-difluorophenol has a molecular weight of 164.54 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,6-difluorophenol is sourced from PubChem (CID 2773564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).