1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene

C10H11ClF2O2 — CID 103514415

IUPAC1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(C(Cl)C(F)F)c(OC)c1
InChIInChI=1S/C10H11ClF2O2/c1-14-6-3-4-7(8(5-6)15-2)9(11)10(12)13/h3-5,9-10H,1-2H3
InChIKeyLBIQMEZUDVSVTQ-UHFFFAOYSA-N
MW236.65 g/mol
LogP3.25
Rot. Bonds4

About 1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene

1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene (PubChem CID 103514415) has the molecular formula C10H11ClF2O2 and a molecular weight of 236.65 g/mol. Its IUPAC name is 1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene
PubChem CID103514415
Molecular FormulaC10H11ClF2O2
Molecular Weight236.65 g/mol
Exact Mass236.04
IUPAC Name1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(C(Cl)C(F)F)c(OC)c1
InChIInChI=1S/C10H11ClF2O2/c1-14-6-3-4-7(8(5-6)15-2)9(11)10(12)13/h3-5,9-10H,1-2H3
InChIKeyLBIQMEZUDVSVTQ-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.65
LogP ≤ 53.25
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-[chloro-(2,4-dimethoxyphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304043
1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116962062
1-(1-chloro-3,3,3-trifluoropropyl)-2,4-dimethoxybenzene
CID 61085585
1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene
CID 62511020
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
1-(2,4-dimethoxyphenyl)ethanethiol
CID 43124104
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
2-(1-chloro-2,2-difluoroethyl)-4-fluoro-1-methoxybenzene
CID 103514435
1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene
CID 63433665
1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine
CID 79616909
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171312907

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene?
The IUPAC name of 1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene (CID 103514415) is 1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene.
What is the SMILES notation for 1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene?
The canonical SMILES for 1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene is COc1ccc(C(Cl)C(F)F)c(OC)c1.
What is the InChIKey of 1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene?
The InChIKey is LBIQMEZUDVSVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O2/c1-14-6-3-4-7(8(5-6)15-2)9(11)10(12)13/h3-5,9-10H,1-2H3.
What are the key properties of 1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene?
1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene has a molecular weight of 236.65 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene is sourced from PubChem (CID 103514415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).