3-(3-chloro-2-fluoro-5-methylphenyl)propanal

C10H10ClFO — CID 117289566

IUPAC3-(3-chloro-2-fluoro-5-methylphenyl)propanal
SMILESCc1cc(Cl)c(F)c(CCC=O)c1
InChIInChI=1S/C10H10ClFO/c1-7-5-8(3-2-4-13)10(12)9(11)6-7/h4-6H,2-3H2,1H3
InChIKeyUQVYBHSZWUDWKK-UHFFFAOYSA-N
MW200.64 g/mol
LogP2.92
Rot. Bonds3

About 3-(3-chloro-2-fluoro-5-methylphenyl)propanal

3-(3-chloro-2-fluoro-5-methylphenyl)propanal (PubChem CID 117289566) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is 3-(3-chloro-2-fluoro-5-methylphenyl)propanal.

Molecular Properties

Compound Name3-(3-chloro-2-fluoro-5-methylphenyl)propanal
PubChem CID117289566
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name3-(3-chloro-2-fluoro-5-methylphenyl)propanal
SMILESCc1cc(Cl)c(F)c(CCC=O)c1
InChIInChI=1S/C10H10ClFO/c1-7-5-8(3-2-4-13)10(12)9(11)6-7/h4-6H,2-3H2,1H3
InChIKeyUQVYBHSZWUDWKK-UHFFFAOYSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-2-fluoro-5-methylphenyl)propanal
CID 117363986
1-(3-chloro-2-fluoro-5-methylphenyl)propan-2-one
CID 84669702
3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid
CID 84682257
2-(3-chloro-2-fluoro-5-methylphenyl)-N-methylethanamine
CID 84670371
3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propanal
CID 117305933
3-(5-bromo-2-fluoro-3-methylphenyl)propanal
CID 117363991
3-chloro-2-fluoro-5-methylbenzaldehyde
CID 84654476
3-(3-bromo-2,5-dimethylphenyl)propanal
CID 117354306
2-chloro-6-fluoro-4-methylbenzaldehyde
CID 90021510
3-(3-bromo-2-hydroxy-5-methylphenyl)propanal
CID 166772839
3-(2,4,5-trifluoro-3-methoxyphenyl)propanal
CID 117117805
3-(2-chloro-5-methylsulfanylphenyl)propanal
CID 117306128

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluoro-5-methylphenyl)propanal?
The IUPAC name of 3-(3-chloro-2-fluoro-5-methylphenyl)propanal (CID 117289566) is 3-(3-chloro-2-fluoro-5-methylphenyl)propanal.
What is the SMILES notation for 3-(3-chloro-2-fluoro-5-methylphenyl)propanal?
The canonical SMILES for 3-(3-chloro-2-fluoro-5-methylphenyl)propanal is Cc1cc(Cl)c(F)c(CCC=O)c1.
What is the InChIKey of 3-(3-chloro-2-fluoro-5-methylphenyl)propanal?
The InChIKey is UQVYBHSZWUDWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO/c1-7-5-8(3-2-4-13)10(12)9(11)6-7/h4-6H,2-3H2,1H3.
What are the key properties of 3-(3-chloro-2-fluoro-5-methylphenyl)propanal?
3-(3-chloro-2-fluoro-5-methylphenyl)propanal has a molecular weight of 200.64 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluoro-5-methylphenyl)propanal is sourced from PubChem (CID 117289566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).