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

C10H7ClF2O2 — CID 79892297

IUPAC4-(2-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde
SMILESC=C(Cl)COc1c(F)cc(C=O)cc1F
InChIInChI=1S/C10H7ClF2O2/c1-6(11)5-15-10-8(12)2-7(4-14)3-9(10)13/h2-4H,1,5H2
InChIKeyLTOTVTBSFQNKDT-UHFFFAOYSA-N
MW232.61 g/mol
LogP2.91
Rot. Bonds4

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

4-(2-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde (PubChem CID 79892297) has the molecular formula C10H7ClF2O2 and a molecular weight of 232.61 g/mol. Its IUPAC name is 4-(2-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde.

Molecular Properties

Compound Name4-(2-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde
PubChem CID79892297
Molecular FormulaC10H7ClF2O2
Molecular Weight232.61 g/mol
Exact Mass232.01
IUPAC Name4-(2-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde
SMILESC=C(Cl)COc1c(F)cc(C=O)cc1F
InChIInChI=1S/C10H7ClF2O2/c1-6(11)5-15-10-8(12)2-7(4-14)3-9(10)13/h2-4H,1,5H2
InChIKeyLTOTVTBSFQNKDT-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

methyl 2-(2,6-difluoro-4-formylphenoxy)acetate
CID 79891826
4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde
CID 79891324
4-butoxy-3,5-difluorobenzaldehyde
CID 79018256
4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde
CID 55206244
3-bromo-4-(2-chloroprop-2-enoxy)benzaldehyde
CID 60644525
4-(3,3-dimethylbutoxy)-3,5-difluorobenzaldehyde
CID 79892136
4-but-2-ynoxy-3,5-difluorobenzaldehyde
CID 79891326
2-(2-fluoro-4-formyl-6-nitrophenoxy)acetic acid
CID 18452147
4-(2,6-difluoro-4-formylphenoxy)-N,N-dimethylbutanamide
CID 79891319
3,5-difluoro-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103178174
3-fluoro-4-methoxy-5-methylbenzaldehyde
CID 83827035
3,5-difluoro-4-(1,2-oxazol-4-ylmethoxy)benzaldehyde
CID 79891546

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde?
The IUPAC name of 4-(2-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde (CID 79892297) is 4-(2-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde.
What is the SMILES notation for 4-(2-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde?
The canonical SMILES for 4-(2-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde is C=C(Cl)COc1c(F)cc(C=O)cc1F.
What is the InChIKey of 4-(2-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde?
The InChIKey is LTOTVTBSFQNKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2O2/c1-6(11)5-15-10-8(12)2-7(4-14)3-9(10)13/h2-4H,1,5H2.
What are the key properties of 4-(2-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde?
4-(2-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-(2-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde is sourced from PubChem (CID 79892297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).