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

C9H9ClF2O — CID 53403518

IUPAC2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene
SMILESCOc1cc(F)c(CCCl)c(F)c1
InChIInChI=1S/C9H9ClF2O/c1-13-6-4-8(11)7(2-3-10)9(12)5-6/h4-5H,2-3H2,1H3
InChIKeyVKTCQMBFKROGCF-UHFFFAOYSA-N
MW206.62 g/mol
LogP2.75
Rot. Bonds3

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

2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene (PubChem CID 53403518) has the molecular formula C9H9ClF2O and a molecular weight of 206.62 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene.

Molecular Properties

Compound Name2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene
PubChem CID53403518
Molecular FormulaC9H9ClF2O
Molecular Weight206.62 g/mol
Exact Mass206.03
IUPAC Name2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene
SMILESCOc1cc(F)c(CCCl)c(F)c1
InChIInChI=1S/C9H9ClF2O/c1-13-6-4-8(11)7(2-3-10)9(12)5-6/h4-5H,2-3H2,1H3
InChIKeyVKTCQMBFKROGCF-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-difluoro-5-methoxy-2-propylbenzene
CID 89112657
(2,6-difluoro-4-methoxyphenyl)methanol
CID 3736239
(2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride
CID 162342560
2-(2,6-difluoro-4-methoxyphenyl)acetonitrile
CID 3869500
(2-chloro-6-fluoro-4-methoxyphenyl)methanesulfonyl chloride
CID 84809935
1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117303787
2-(2-fluoro-6-hydroxy-4-methoxyphenyl)ethanesulfonyl chloride
CID 84808465
N-[2-[2-(2,6-difluoro-4-methoxyphenyl)ethoxy]ethyl]propan-2-amine
CID 65304977
1-(2-chloro-6-fluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 84795134
ethyl 2-(chloromethyl)-3-fluoro-5-methoxybenzoate
CID 171019313
5-(2,6-difluoro-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-1-amine
CID 65304274
3-fluoro-2-(hydroxymethyl)-5-methoxybenzonitrile
CID 131297257

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene?
The IUPAC name of 2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene (CID 53403518) is 2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene.
What is the SMILES notation for 2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene?
The canonical SMILES for 2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene is COc1cc(F)c(CCCl)c(F)c1.
What is the InChIKey of 2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene?
The InChIKey is VKTCQMBFKROGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O/c1-13-6-4-8(11)7(2-3-10)9(12)5-6/h4-5H,2-3H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene?
2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene has a molecular weight of 206.62 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1,3-difluoro-5-methoxybenzene is sourced from PubChem (CID 53403518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).