3-(2,4-difluorophenyl)prop-2-enal

C9H6F2O — CID 2763109

IUPAC3-(2,4-difluorophenyl)prop-2-enal
SMILESO=CC=Cc1ccc(F)cc1F
InChIInChI=1S/C9H6F2O/c10-8-4-3-7(2-1-5-12)9(11)6-8/h1-6H
InChIKeyXVVKESKJTRIKLY-UHFFFAOYSA-N
MW168.14 g/mol
LogP2.18
Rot. Bonds2

About 3-(2,4-difluorophenyl)prop-2-enal

3-(2,4-difluorophenyl)prop-2-enal (PubChem CID 2763109) has the molecular formula C9H6F2O and a molecular weight of 168.14 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)prop-2-enal.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)prop-2-enal
PubChem CID2763109
Molecular FormulaC9H6F2O
Molecular Weight168.14 g/mol
Exact Mass168.04
IUPAC Name3-(2,4-difluorophenyl)prop-2-enal
SMILESO=CC=Cc1ccc(F)cc1F
InChIInChI=1S/C9H6F2O/c10-8-4-3-7(2-1-5-12)9(11)6-8/h1-6H
InChIKeyXVVKESKJTRIKLY-UHFFFAOYSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluoro-2-hydroxyphenyl)prop-2-enal
CID 169458747
1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene
CID 178070842
(2E,4E)-5-(2,4-difluorophenyl)penta-2,4-dienoic acid
CID 116865813
3-[2-(difluoromethoxy)-4-fluorophenyl]prop-2-enal
CID 169459540
(E)-3-(2,3,5-trifluorophenyl)prop-2-enal
CID 87564902
1-[(E)-2-bromoethenyl]-2,4-difluorobenzene
CID 165468200
1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one
CID 68697765
3-(2,3,4-trifluorophenyl)prop-2-enal
CID 73413418
2-[3-fluoro-4-(3-oxoprop-1-enyl)phenyl]acetonitrile
CID 169459398
(E)-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 5374945
3-(5-fluoro-2-methoxyphenyl)prop-2-enal
CID 131847071
methyl 3-fluoro-4-(3-oxoprop-1-enyl)benzoate
CID 169459511

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)prop-2-enal?
The IUPAC name of 3-(2,4-difluorophenyl)prop-2-enal (CID 2763109) is 3-(2,4-difluorophenyl)prop-2-enal.
What is the SMILES notation for 3-(2,4-difluorophenyl)prop-2-enal?
The canonical SMILES for 3-(2,4-difluorophenyl)prop-2-enal is O=CC=Cc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)prop-2-enal?
The InChIKey is XVVKESKJTRIKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2O/c10-8-4-3-7(2-1-5-12)9(11)6-8/h1-6H.
What are the key properties of 3-(2,4-difluorophenyl)prop-2-enal?
3-(2,4-difluorophenyl)prop-2-enal has a molecular weight of 168.14 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)prop-2-enal is sourced from PubChem (CID 2763109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).