1-chloro-2,4-difluoro-5-methoxybenzene

C7H5ClF2O — CID 124706419

IUPAC1-chloro-2,4-difluoro-5-methoxybenzene
SMILESCOc1cc(Cl)c(F)cc1F
InChIInChI=1S/C7H5ClF2O/c1-11-7-2-4(8)5(9)3-6(7)10/h2-3H,1H3
InChIKeyFZDCQMDEJJMLAZ-UHFFFAOYSA-N
MW178.56 g/mol
LogP2.63
Rot. Bonds1

About 1-chloro-2,4-difluoro-5-methoxybenzene

1-chloro-2,4-difluoro-5-methoxybenzene (PubChem CID 124706419) has the molecular formula C7H5ClF2O and a molecular weight of 178.56 g/mol. Its IUPAC name is 1-chloro-2,4-difluoro-5-methoxybenzene.

Molecular Properties

Compound Name1-chloro-2,4-difluoro-5-methoxybenzene
PubChem CID124706419
Molecular FormulaC7H5ClF2O
Molecular Weight178.56 g/mol
Exact Mass178.00
IUPAC Name1-chloro-2,4-difluoro-5-methoxybenzene
SMILESCOc1cc(Cl)c(F)cc1F
InChIInChI=1S/C7H5ClF2O/c1-11-7-2-4(8)5(9)3-6(7)10/h2-3H,1H3
InChIKeyFZDCQMDEJJMLAZ-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_1', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-ethenyl-2-fluoro-5-methoxybenzene
CID 176698285
2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine
CID 83881713
(NE)-N-[(4-chloro-5-fluoro-2-methoxyphenyl)methylidene]hydroxylamine
CID 169127326
1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene
CID 171001576
1-tert-butyl-5-chloro-4-fluoro-2-methoxybenzene
CID 177095864
2-(4-chloro-5-fluoro-2-methoxyphenyl)acetonitrile
CID 171007005
1-bromo-2,4-difluoro-5-methoxybenzene
CID 68809379
(2-chloro-4-fluoro-5-methoxyphenyl)boronic acid;ethane
CID 177217890
1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene
CID 160948339
1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene
CID 164894496
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
(4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone
CID 114962814

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-difluoro-5-methoxybenzene?
The IUPAC name of 1-chloro-2,4-difluoro-5-methoxybenzene (CID 124706419) is 1-chloro-2,4-difluoro-5-methoxybenzene.
What is the SMILES notation for 1-chloro-2,4-difluoro-5-methoxybenzene?
The canonical SMILES for 1-chloro-2,4-difluoro-5-methoxybenzene is COc1cc(Cl)c(F)cc1F.
What is the InChIKey of 1-chloro-2,4-difluoro-5-methoxybenzene?
The InChIKey is FZDCQMDEJJMLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2O/c1-11-7-2-4(8)5(9)3-6(7)10/h2-3H,1H3.
What are the key properties of 1-chloro-2,4-difluoro-5-methoxybenzene?
1-chloro-2,4-difluoro-5-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 1-chloro-2,4-difluoro-5-methoxybenzene is sourced from PubChem (CID 124706419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).