4-(2-chloropropanoyl)-2-fluorobenzaldehyde

C10H8ClFO2 — CID 130955426

IUPAC4-(2-chloropropanoyl)-2-fluorobenzaldehyde
SMILESCC(Cl)C(=O)c1ccc(C=O)c(F)c1
InChIInChI=1S/C10H8ClFO2/c1-6(11)10(14)7-2-3-8(5-13)9(12)4-7/h2-6H,1H3
InChIKeySOJDBSXQMBYVDN-UHFFFAOYSA-N
MW214.62 g/mol
LogP2.45
Rot. Bonds3

About 4-(2-chloropropanoyl)-2-fluorobenzaldehyde

4-(2-chloropropanoyl)-2-fluorobenzaldehyde (PubChem CID 130955426) has the molecular formula C10H8ClFO2 and a molecular weight of 214.62 g/mol. Its IUPAC name is 4-(2-chloropropanoyl)-2-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(2-chloropropanoyl)-2-fluorobenzaldehyde
PubChem CID130955426
Molecular FormulaC10H8ClFO2
Molecular Weight214.62 g/mol
Exact Mass214.02
IUPAC Name4-(2-chloropropanoyl)-2-fluorobenzaldehyde
SMILESCC(Cl)C(=O)c1ccc(C=O)c(F)c1
InChIInChI=1S/C10H8ClFO2/c1-6(11)10(14)7-2-3-8(5-13)9(12)4-7/h2-6H,1H3
InChIKeySOJDBSXQMBYVDN-UHFFFAOYSA-N
XLogP2.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.62
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(3-fluoro-4-hydroxyphenyl)propan-1-one
CID 45080970
3-fluoro-4-formyl-N-methylbenzamide
CID 131572088
2-fluoro-4-prop-1-en-2-ylbenzaldehyde
CID 88914678
ethyl 4-(2-chloropropanoyl)-3-formylbenzoate
CID 134641196
4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorobenzaldehyde
CID 87553068
2-fluoro-4-propan-2-yloxybenzaldehyde;methane
CID 166468133
(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
CID 93494503
2-chloro-1-(3-propan-2-ylphenyl)propan-1-one
CID 131009235
1-(4-bromo-3-methylsulfanylphenyl)-2-chloropropan-1-one
CID 130838496
4-(2-bromopropanoyl)-2-methylbenzaldehyde
CID 130851553
N-[5-(2-chloropropanoyl)-2-fluorophenyl]-3-oxobutanamide
CID 57069458
1-(4-amino-3-methylphenyl)-2-chloropropan-1-one
CID 118832418

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloropropanoyl)-2-fluorobenzaldehyde?
The IUPAC name of 4-(2-chloropropanoyl)-2-fluorobenzaldehyde (CID 130955426) is 4-(2-chloropropanoyl)-2-fluorobenzaldehyde.
What is the SMILES notation for 4-(2-chloropropanoyl)-2-fluorobenzaldehyde?
The canonical SMILES for 4-(2-chloropropanoyl)-2-fluorobenzaldehyde is CC(Cl)C(=O)c1ccc(C=O)c(F)c1.
What is the InChIKey of 4-(2-chloropropanoyl)-2-fluorobenzaldehyde?
The InChIKey is SOJDBSXQMBYVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFO2/c1-6(11)10(14)7-2-3-8(5-13)9(12)4-7/h2-6H,1H3.
What are the key properties of 4-(2-chloropropanoyl)-2-fluorobenzaldehyde?
4-(2-chloropropanoyl)-2-fluorobenzaldehyde has a molecular weight of 214.62 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloropropanoyl)-2-fluorobenzaldehyde is sourced from PubChem (CID 130955426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).