4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde

C10H7ClF2O2 — CID 79891324

IUPAC4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)c(OCC=CCl)c(F)c1
InChIInChI=1S/C10H7ClF2O2/c11-2-1-3-15-10-8(12)4-7(6-14)5-9(10)13/h1-2,4-6H,3H2
InChIKeySXDISVACUTZHAI-UHFFFAOYSA-N
MW232.61 g/mol
LogP2.91
Rot. Bonds4

About 4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde

4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde (PubChem CID 79891324) has the molecular formula C10H7ClF2O2 and a molecular weight of 232.61 g/mol. Its IUPAC name is 4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde.

Molecular Properties

Compound Name4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde
PubChem CID79891324
Molecular FormulaC10H7ClF2O2
Molecular Weight232.61 g/mol
Exact Mass232.01
IUPAC Name4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)c(OCC=CCl)c(F)c1
InChIInChI=1S/C10H7ClF2O2/c11-2-1-3-15-10-8(12)4-7(6-14)5-9(10)13/h1-2,4-6H,3H2
InChIKeySXDISVACUTZHAI-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.61
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde
CID 79892297
4-butoxy-3,5-difluorobenzaldehyde
CID 79018256
N-[[4-(3-chloroprop-2-enoxy)-3,5-difluorophenyl]methyl]-2-methylpropan-2-amine
CID 79892271
1-[4-(3-chloroprop-2-enoxy)-3,5-difluorophenyl]butan-2-amine
CID 79887693
4-(3,3-dimethylbutoxy)-3,5-difluorobenzaldehyde
CID 79892136
4-but-2-ynoxy-3,5-difluorobenzaldehyde
CID 79891326
methyl 2-(2,6-difluoro-4-formylphenoxy)acetate
CID 79891826
3,5-difluoro-4-(1,2-oxazol-4-ylmethoxy)benzaldehyde
CID 79891546
3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde
CID 79831604
3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103178174
3-fluoro-4-methoxy-5-methylbenzaldehyde
CID 83827035
3,5-difluoro-4-(3-pyridin-4-ylpropoxy)benzaldehyde
CID 79116566

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde?
The IUPAC name of 4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde (CID 79891324) is 4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde.
What is the SMILES notation for 4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde?
The canonical SMILES for 4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde is O=Cc1cc(F)c(OCC=CCl)c(F)c1.
What is the InChIKey of 4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde?
The InChIKey is SXDISVACUTZHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2O2/c11-2-1-3-15-10-8(12)4-7(6-14)5-9(10)13/h1-2,4-6H,3H2.
What are the key properties of 4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde?
4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde has a molecular weight of 232.61 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde is sourced from PubChem (CID 79891324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).