5-(chloromethyl)-1,2-difluoro-3-methoxybenzene

C8H7ClF2O — CID 130938766

IUPAC5-(chloromethyl)-1,2-difluoro-3-methoxybenzene
SMILESCOc1cc(CCl)cc(F)c1F
InChIInChI=1S/C8H7ClF2O/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-3H,4H2,1H3
InChIKeyXTBCYSDWELEGHN-UHFFFAOYSA-N
MW192.59 g/mol
LogP2.71
Rot. Bonds2

About 5-(chloromethyl)-1,2-difluoro-3-methoxybenzene

5-(chloromethyl)-1,2-difluoro-3-methoxybenzene (PubChem CID 130938766) has the molecular formula C8H7ClF2O and a molecular weight of 192.59 g/mol. Its IUPAC name is 5-(chloromethyl)-1,2-difluoro-3-methoxybenzene.

Molecular Properties

Compound Name5-(chloromethyl)-1,2-difluoro-3-methoxybenzene
PubChem CID130938766
Molecular FormulaC8H7ClF2O
Molecular Weight192.59 g/mol
Exact Mass192.02
IUPAC Name5-(chloromethyl)-1,2-difluoro-3-methoxybenzene
SMILESCOc1cc(CCl)cc(F)c1F
InChIInChI=1S/C8H7ClF2O/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-3H,4H2,1H3
InChIKeyXTBCYSDWELEGHN-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.59
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride
CID 84805414
4-(chloromethyl)-2,6-dimethoxyphenol
CID 86126298
(3,4-difluoro-5-methoxyphenyl)methyl methanesulfonate
CID 118962022
5-(chloromethyl)-2-(4-ethyl-2-methoxyphenoxy)-1,3-difluorobenzene
CID 107666217
5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene
CID 63075510
CID 87823096
CID 87823096
3-methoxy-5-[2-(3,4,5-trifluorophenyl)ethyl]benzene-1,2-diol
CID 67960854
5-(chloromethyl)-2-(3,5-dimethoxyphenoxy)-1,3-difluorobenzene
CID 63076728
5-(chloromethyl)-1-methoxy-2,3-bis(trifluoromethyl)benzene
CID 134623064
5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
CID 65364393
4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene
CID 82123483
1,2,4-trifluoro-3,5-dimethoxybenzene
CID 10535733

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1,2-difluoro-3-methoxybenzene?
The IUPAC name of 5-(chloromethyl)-1,2-difluoro-3-methoxybenzene (CID 130938766) is 5-(chloromethyl)-1,2-difluoro-3-methoxybenzene.
What is the SMILES notation for 5-(chloromethyl)-1,2-difluoro-3-methoxybenzene?
The canonical SMILES for 5-(chloromethyl)-1,2-difluoro-3-methoxybenzene is COc1cc(CCl)cc(F)c1F.
What is the InChIKey of 5-(chloromethyl)-1,2-difluoro-3-methoxybenzene?
The InChIKey is XTBCYSDWELEGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-3H,4H2,1H3.
What are the key properties of 5-(chloromethyl)-1,2-difluoro-3-methoxybenzene?
5-(chloromethyl)-1,2-difluoro-3-methoxybenzene has a molecular weight of 192.59 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1,2-difluoro-3-methoxybenzene is sourced from PubChem (CID 130938766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).