3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene

C9H10ClFO2 — CID 130954694

IUPAC3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene
SMILESCOc1ccc(F)c(OC)c1CCl
InChIInChI=1S/C9H10ClFO2/c1-12-8-4-3-7(11)9(13-2)6(8)5-10/h3-4H,5H2,1-2H3
InChIKeyCOLXPVVSPDKJGL-UHFFFAOYSA-N
MW204.63 g/mol
LogP2.58
Rot. Bonds3

About 3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene

3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene (PubChem CID 130954694) has the molecular formula C9H10ClFO2 and a molecular weight of 204.63 g/mol. Its IUPAC name is 3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene.

Molecular Properties

Compound Name3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene
PubChem CID130954694
Molecular FormulaC9H10ClFO2
Molecular Weight204.63 g/mol
Exact Mass204.04
IUPAC Name3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene
SMILESCOc1ccc(F)c(OC)c1CCl
InChIInChI=1S/C9H10ClFO2/c1-12-8-4-3-7(11)9(13-2)6(8)5-10/h3-4H,5H2,1-2H3
InChIKeyCOLXPVVSPDKJGL-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.63
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327192
1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene
CID 118830405
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
6-fluoro-2,3-dimethoxybenzenesulfonyl chloride
CID 84708314
3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117304223
1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one
CID 14850156
N-[(3,6-difluoro-2-methoxyphenyl)methyl]hydroxylamine
CID 117281310
3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290010
4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene
CID 82123483
4-(6-fluoro-2,3-dimethoxyphenyl)butan-1-amine
CID 117327075
2-(2-chloro-3-fluoro-6-methoxyphenyl)acetonitrile
CID 130889587
3-(3-fluoro-2,6-dimethoxyphenyl)butan-1-amine
CID 117327116

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene?
The IUPAC name of 3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene (CID 130954694) is 3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene.
What is the SMILES notation for 3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene?
The canonical SMILES for 3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene is COc1ccc(F)c(OC)c1CCl.
What is the InChIKey of 3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene?
The InChIKey is COLXPVVSPDKJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO2/c1-12-8-4-3-7(11)9(13-2)6(8)5-10/h3-4H,5H2,1-2H3.
What are the key properties of 3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene?
3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene has a molecular weight of 204.63 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene is sourced from PubChem (CID 130954694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).