3-(4-chloro-3-cyclopropyloxyphenyl)-3,3-difluoropropanal

C12H11ClF2O2 — CID 142387686

IUPAC3-(4-chloro-3-cyclopropyloxyphenyl)-3,3-difluoropropanal
SMILESO=CCC(F)(F)c1ccc(Cl)c(OC2CC2)c1
InChIInChI=1S/C12H11ClF2O2/c13-10-4-1-8(12(14,15)5-6-16)7-11(10)17-9-2-3-9/h1,4,6-7,9H,2-3,5H2
InChIKeyWKINLPIMIONZEB-UHFFFAOYSA-N
MW260.67 g/mol
LogP3.56
Rot. Bonds5

About 3-(4-chloro-3-cyclopropyloxyphenyl)-3,3-difluoropropanal

3-(4-chloro-3-cyclopropyloxyphenyl)-3,3-difluoropropanal (PubChem CID 142387686) has the molecular formula C12H11ClF2O2 and a molecular weight of 260.67 g/mol. Its IUPAC name is 3-(4-chloro-3-cyclopropyloxyphenyl)-3,3-difluoropropanal.

Molecular Properties

Compound Name3-(4-chloro-3-cyclopropyloxyphenyl)-3,3-difluoropropanal
PubChem CID142387686
Molecular FormulaC12H11ClF2O2
Molecular Weight260.67 g/mol
Exact Mass260.04
IUPAC Name3-(4-chloro-3-cyclopropyloxyphenyl)-3,3-difluoropropanal
SMILESO=CCC(F)(F)c1ccc(Cl)c(OC2CC2)c1
InChIInChI=1S/C12H11ClF2O2/c13-10-4-1-8(12(14,15)5-6-16)7-11(10)17-9-2-3-9/h1,4,6-7,9H,2-3,5H2
InChIKeyWKINLPIMIONZEB-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.67
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-chloro-3-cyclopropyloxyphenyl)-3,3-difluoropropanal 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

3-(4-chloro-3-methoxyphenyl)-3,3-difluoropropanal
CID 142387180
1-(4-chloro-3-cyclopentyloxyphenyl)-1,1-difluoropropan-2-ol
CID 162262584
2-[8-chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]acetaldehyde
CID 141401075
4-[(E)-3-[4-[2-chloro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-oxoprop-1-enyl]-2-methylpyridazin-3-one
CID 50917999
2-amino-2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]acetaldehyde
CID 87187264
4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride
CID 118353819
2-cyclopropyloxy-4-(trifluoromethyl)benzonitrile;hydrochloride
CID 169186429
2-(3-chloro-4-cyclopropyloxyphenyl)-4-(trifluoromethyl)benzoic acid
CID 172649191
cis-(1R,2R)-2-[[2-chloro-5-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine
CID 86676669
2-amino-1-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 167434690
4-[[2-[4-[2-chloro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]-2-oxoethyl]amino]-5-methoxy-2-methylpyridazin-3-one
CID 50915504
4-(2-chloro-5-ethylphenoxy)-1-methylpiperidine
CID 177191064

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-cyclopropyloxyphenyl)-3,3-difluoropropanal?
The IUPAC name of 3-(4-chloro-3-cyclopropyloxyphenyl)-3,3-difluoropropanal (CID 142387686) is 3-(4-chloro-3-cyclopropyloxyphenyl)-3,3-difluoropropanal.
What is the SMILES notation for 3-(4-chloro-3-cyclopropyloxyphenyl)-3,3-difluoropropanal?
The canonical SMILES for 3-(4-chloro-3-cyclopropyloxyphenyl)-3,3-difluoropropanal is O=CCC(F)(F)c1ccc(Cl)c(OC2CC2)c1.
What is the InChIKey of 3-(4-chloro-3-cyclopropyloxyphenyl)-3,3-difluoropropanal?
The InChIKey is WKINLPIMIONZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2O2/c13-10-4-1-8(12(14,15)5-6-16)7-11(10)17-9-2-3-9/h1,4,6-7,9H,2-3,5H2.
What are the key properties of 3-(4-chloro-3-cyclopropyloxyphenyl)-3,3-difluoropropanal?
3-(4-chloro-3-cyclopropyloxyphenyl)-3,3-difluoropropanal has a molecular weight of 260.67 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-cyclopropyloxyphenyl)-3,3-difluoropropanal is sourced from PubChem (CID 142387686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).