2-chloro-1,3-difluoro-4-methoxybenzene

C7H5ClF2O — CID 121229982

IUPAC2-chloro-1,3-difluoro-4-methoxybenzene
SMILESCOc1ccc(F)c(Cl)c1F
InChIInChI=1S/C7H5ClF2O/c1-11-5-3-2-4(9)6(8)7(5)10/h2-3H,1H3
InChIKeySNCPDLGXNVBGMB-UHFFFAOYSA-N
MW178.56 g/mol
LogP2.63
Rot. Bonds1

About 2-chloro-1,3-difluoro-4-methoxybenzene

2-chloro-1,3-difluoro-4-methoxybenzene (PubChem CID 121229982) has the molecular formula C7H5ClF2O and a molecular weight of 178.56 g/mol. Its IUPAC name is 2-chloro-1,3-difluoro-4-methoxybenzene.

Molecular Properties

Compound Name2-chloro-1,3-difluoro-4-methoxybenzene
PubChem CID121229982
Molecular FormulaC7H5ClF2O
Molecular Weight178.56 g/mol
Exact Mass178.00
IUPAC Name2-chloro-1,3-difluoro-4-methoxybenzene
SMILESCOc1ccc(F)c(Cl)c1F
InChIInChI=1S/C7H5ClF2O/c1-11-5-3-2-4(9)6(8)7(5)10/h2-3H,1H3
InChIKeySNCPDLGXNVBGMB-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.56
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-2-chloro-3-fluoro-4-methoxybenzene
CID 90305817
2-(2-chloro-3-fluoro-6-methoxyphenyl)acetonitrile
CID 130889587
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 134629660
2-(2-chloro-3-fluoro-6-methoxyphenyl)propan-1-amine
CID 83887883
2-chloro-3,6-difluoro-4-methoxyaniline
CID 106701641
2-bromo-1-(2-chloro-6-fluoro-3-methoxyphenyl)ethanone
CID 171007000
3-(2-chlorophenyl)-1,2-difluoro-4-methoxybenzene
CID 174993778
1-chloro-2-ethyl-3-fluoro-4-methoxybenzene
CID 118261733
2-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 10797664
1-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 55272050
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-difluoro-4-methoxybenzene?
The IUPAC name of 2-chloro-1,3-difluoro-4-methoxybenzene (CID 121229982) is 2-chloro-1,3-difluoro-4-methoxybenzene.
What is the SMILES notation for 2-chloro-1,3-difluoro-4-methoxybenzene?
The canonical SMILES for 2-chloro-1,3-difluoro-4-methoxybenzene is COc1ccc(F)c(Cl)c1F.
What is the InChIKey of 2-chloro-1,3-difluoro-4-methoxybenzene?
The InChIKey is SNCPDLGXNVBGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2O/c1-11-5-3-2-4(9)6(8)7(5)10/h2-3H,1H3.
What are the key properties of 2-chloro-1,3-difluoro-4-methoxybenzene?
2-chloro-1,3-difluoro-4-methoxybenzene has a molecular weight of 178.56 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-difluoro-4-methoxybenzene is sourced from PubChem (CID 121229982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).