2-(3-fluorophenyl)propanal

C9H9FO — CID 20610109

IUPAC2-(3-fluorophenyl)propanal
SMILESCC(C=O)c1cccc(F)c1
InChIInChI=1S/C9H9FO/c1-7(6-11)8-3-2-4-9(10)5-8/h2-7H,1H3
InChIKeyFIUARSABTSBIGQ-UHFFFAOYSA-N
MW152.17 g/mol
LogP2.13
Rot. Bonds2

About 2-(3-fluorophenyl)propanal

2-(3-fluorophenyl)propanal (PubChem CID 20610109) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is 2-(3-fluorophenyl)propanal.

Molecular Properties

Compound Name2-(3-fluorophenyl)propanal
PubChem CID20610109
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name2-(3-fluorophenyl)propanal
SMILESCC(C=O)c1cccc(F)c1
InChIInChI=1S/C9H9FO/c1-7(6-11)8-3-2-4-9(10)5-8/h2-7H,1H3
InChIKeyFIUARSABTSBIGQ-UHFFFAOYSA-N
XLogP2.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-methylphenyl)propanal
CID 124547254
2-bromo-2-(3-fluorophenyl)acetaldehyde
CID 87073692
2-[3-(2-methylpropyl)phenyl]propanal
CID 105444490
acetaldehyde;1,3-difluorobenzene
CID 160854263
1-(3-fluorophenyl)ethanesulfonamide
CID 62085639
2-(3-propylphenyl)propanal
CID 105436614
1-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorobenzene
CID 168850046
2-(3-fluoro-4-sulfanylphenyl)propanal
CID 134639403
2-[3-(1-phenylethenyl)phenyl]propanal
CID 14423576
4,4,4-trifluoro-2-(3-fluorophenyl)-3-methylbutanoic acid
CID 146050157
(1R,2R)-1-fluoro-1-(3-fluorophenyl)propan-2-ol
CID 122372146
2-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)acetaldehyde
CID 90002770

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)propanal?
The IUPAC name of 2-(3-fluorophenyl)propanal (CID 20610109) is 2-(3-fluorophenyl)propanal.
What is the SMILES notation for 2-(3-fluorophenyl)propanal?
The canonical SMILES for 2-(3-fluorophenyl)propanal is CC(C=O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)propanal?
The InChIKey is FIUARSABTSBIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO/c1-7(6-11)8-3-2-4-9(10)5-8/h2-7H,1H3.
What are the key properties of 2-(3-fluorophenyl)propanal?
2-(3-fluorophenyl)propanal has a molecular weight of 152.17 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)propanal is sourced from PubChem (CID 20610109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).