2-(3-chloro-4-propylphenyl)-2-fluoroacetaldehyde

C11H12ClFO — CID 105468156

IUPAC2-(3-chloro-4-propylphenyl)-2-fluoroacetaldehyde
SMILESCCCc1ccc(C(F)C=O)cc1Cl
InChIInChI=1S/C11H12ClFO/c1-2-3-8-4-5-9(6-10(8)12)11(13)7-14/h4-7,11H,2-3H2,1H3
InChIKeyWTBWJXLURZIEFO-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.50
Rot. Bonds4

About 2-(3-chloro-4-propylphenyl)-2-fluoroacetaldehyde

2-(3-chloro-4-propylphenyl)-2-fluoroacetaldehyde (PubChem CID 105468156) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 2-(3-chloro-4-propylphenyl)-2-fluoroacetaldehyde.

Molecular Properties

Compound Name2-(3-chloro-4-propylphenyl)-2-fluoroacetaldehyde
PubChem CID105468156
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name2-(3-chloro-4-propylphenyl)-2-fluoroacetaldehyde
SMILESCCCc1ccc(C(F)C=O)cc1Cl
InChIInChI=1S/C11H12ClFO/c1-2-3-8-4-5-9(6-10(8)12)11(13)7-14/h4-7,11H,2-3H2,1H3
InChIKeyWTBWJXLURZIEFO-UHFFFAOYSA-N
XLogP3.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-4-propylphenyl)-2-fluoroacetaldehyde 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-chloro-4-ethylsulfonyl-1-propylbenzene
CID 59864430
3-[2-chloro-4-(difluoromethyl)phenyl]propan-1-ol
CID 117315030
2-(3,4-dihydroxyphenyl)-2-fluoroacetaldehyde
CID 105434348
2-(3-chloro-4-propylphenyl)ethanol
CID 105425048
5-(difluoromethyl)-2-propylaniline
CID 130537741
2-(3-chloro-4-propylphenyl)-2,2-difluoroethanol
CID 105425063
1-[2-chloro-4-(1-fluoroethyl)phenyl]-N-methylmethanamine
CID 84670375
4-chloro-1-ethyl-2-propylbenzene
CID 144500548
4-propan-2-yl-1,2-dipropylbenzene
CID 123478662
3-(2,4-dichlorophenyl)propanal;ethane
CID 143735610
2-(2,4-dichlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115523434
3-fluoro-4-propylbenzaldehyde
CID 88903432

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-propylphenyl)-2-fluoroacetaldehyde?
The IUPAC name of 2-(3-chloro-4-propylphenyl)-2-fluoroacetaldehyde (CID 105468156) is 2-(3-chloro-4-propylphenyl)-2-fluoroacetaldehyde.
What is the SMILES notation for 2-(3-chloro-4-propylphenyl)-2-fluoroacetaldehyde?
The canonical SMILES for 2-(3-chloro-4-propylphenyl)-2-fluoroacetaldehyde is CCCc1ccc(C(F)C=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-propylphenyl)-2-fluoroacetaldehyde?
The InChIKey is WTBWJXLURZIEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c1-2-3-8-4-5-9(6-10(8)12)11(13)7-14/h4-7,11H,2-3H2,1H3.
What are the key properties of 2-(3-chloro-4-propylphenyl)-2-fluoroacetaldehyde?
2-(3-chloro-4-propylphenyl)-2-fluoroacetaldehyde has a molecular weight of 214.67 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propylphenyl)-2-fluoroacetaldehyde is sourced from PubChem (CID 105468156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).