2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene

C11H11ClF2O — CID 116841642

IUPAC2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene
SMILESCOc1ccc(C(F)(F)C2CC2)cc1Cl
InChIInChI=1S/C11H11ClF2O/c1-15-10-5-4-8(6-9(10)12)11(13,14)7-2-3-7/h4-7H,2-3H2,1H3
InChIKeyHDENXMMLLCWGMH-UHFFFAOYSA-N
MW232.66 g/mol
LogP3.85
Rot. Bonds3

About 2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene

2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene (PubChem CID 116841642) has the molecular formula C11H11ClF2O and a molecular weight of 232.66 g/mol. Its IUPAC name is 2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene
PubChem CID116841642
Molecular FormulaC11H11ClF2O
Molecular Weight232.66 g/mol
Exact Mass232.05
IUPAC Name2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene
SMILESCOc1ccc(C(F)(F)C2CC2)cc1Cl
InChIInChI=1S/C11H11ClF2O/c1-15-10-5-4-8(6-9(10)12)11(13,14)7-2-3-7/h4-7H,2-3H2,1H3
InChIKeyHDENXMMLLCWGMH-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.66
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-chloro-4-[cyclopropyl(difluoro)methyl]-1-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

2-[cyclopropyl(difluoro)methyl]-6-methoxynaphthalene
CID 116841772
2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene
CID 116841637
1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol
CID 82305735
2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82126929
2-(3-chloro-4-methoxyphenyl)-2,2-difluoro-N'-hydroxyethanimidamide
CID 156545753
N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 79829925
2-(3-chloro-4-methoxyphenyl)-2-methylpropanenitrile
CID 82077904
2-(3-chloro-4-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 82081284
2-[[2-chloro-4-[2-(3-chloro-4-methoxyphenyl)propan-2-yl]phenoxy]methyl]oxirane
CID 163950191
2-chloro-4-cyclobutyloxy-1-methoxybenzene
CID 130057041
(3R)-3-(3-chloro-4-methoxyphenyl)-3-fluorooctan-1-ol
CID 138375723
3-chloro-N-(cyclopentylmethyl)-4-methoxyaniline
CID 61342616

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene?
The IUPAC name of 2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene (CID 116841642) is 2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene.
What is the SMILES notation for 2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene?
The canonical SMILES for 2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene is COc1ccc(C(F)(F)C2CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene?
The InChIKey is HDENXMMLLCWGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2O/c1-15-10-5-4-8(6-9(10)12)11(13,14)7-2-3-7/h4-7H,2-3H2,1H3.
What are the key properties of 2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene?
2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene has a molecular weight of 232.66 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[cyclopropyl(difluoro)methyl]-1-methoxybenzene is sourced from PubChem (CID 116841642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).