2-fluoro-3-phenylprop-2-enal

C9H7FO — CID 54285949

IUPAC2-fluoro-3-phenylprop-2-enal
SMILESO=CC(F)=Cc1ccccc1
InChIInChI=1S/C9H7FO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H
InChIKeyVLEKKYCQMPHMIN-UHFFFAOYSA-N
MW150.15 g/mol
LogP2.20
Rot. Bonds2

About 2-fluoro-3-phenylprop-2-enal

2-fluoro-3-phenylprop-2-enal (PubChem CID 54285949) has the molecular formula C9H7FO and a molecular weight of 150.15 g/mol. Its IUPAC name is 2-fluoro-3-phenylprop-2-enal.

Molecular Properties

Compound Name2-fluoro-3-phenylprop-2-enal
PubChem CID54285949
Molecular FormulaC9H7FO
Molecular Weight150.15 g/mol
Exact Mass150.05
IUPAC Name2-fluoro-3-phenylprop-2-enal
SMILESO=CC(F)=Cc1ccccc1
InChIInChI=1S/C9H7FO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H
InChIKeyVLEKKYCQMPHMIN-UHFFFAOYSA-N
XLogP2.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 52.20
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

(E)-2-fluoro-3-(4-pyrimidin-2-ylphenyl)prop-2-enal
CID 87968854
(Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal
CID 10965119
[(E)-2-fluoro-2-iodoethenyl]benzene
CID 11492511
CID 174825448
CID 174825448
CID 11750295
CID 11750295
[2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfinylethenyl]benzene
CID 68923226
2-benzylidene-4,5-difluoro-5-(2-fluorophenyl)-3-oxopent-4-enal
CID 173166523
[2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfanylethenyl]benzene
CID 66730141
2,2-difluoroethenylbenzene;1,1-difluoroprop-1-ene
CID 90783714
(E)-2-fluoro-3-phenylprop-2-enoate
CID 20564685
(Z)-2-fluoro-3-naphthalen-1-ylprop-2-enal
CID 11019877
3-oxo-1-phenylprop-1-ene-2-sulfonic acid
CID 87126626

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-phenylprop-2-enal?
The IUPAC name of 2-fluoro-3-phenylprop-2-enal (CID 54285949) is 2-fluoro-3-phenylprop-2-enal.
What is the SMILES notation for 2-fluoro-3-phenylprop-2-enal?
The canonical SMILES for 2-fluoro-3-phenylprop-2-enal is O=CC(F)=Cc1ccccc1.
What is the InChIKey of 2-fluoro-3-phenylprop-2-enal?
The InChIKey is VLEKKYCQMPHMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-fluoro-3-phenylprop-2-enal?
2-fluoro-3-phenylprop-2-enal has a molecular weight of 150.15 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-phenylprop-2-enal is sourced from PubChem (CID 54285949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).