3-(3-fluoro-5-propan-2-ylphenyl)propanal

C12H15FO — CID 117284667

IUPAC3-(3-fluoro-5-propan-2-ylphenyl)propanal
SMILESCC(C)c1cc(F)cc(CCC=O)c1
InChIInChI=1S/C12H15FO/c1-9(2)11-6-10(4-3-5-14)7-12(13)8-11/h5-9H,3-4H2,1-2H3
InChIKeyOQMYAPFNSNOUHC-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.08
Rot. Bonds4

About 3-(3-fluoro-5-propan-2-ylphenyl)propanal

3-(3-fluoro-5-propan-2-ylphenyl)propanal (PubChem CID 117284667) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 3-(3-fluoro-5-propan-2-ylphenyl)propanal.

Molecular Properties

Compound Name3-(3-fluoro-5-propan-2-ylphenyl)propanal
PubChem CID117284667
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name3-(3-fluoro-5-propan-2-ylphenyl)propanal
SMILESCC(C)c1cc(F)cc(CCC=O)c1
InChIInChI=1S/C12H15FO/c1-9(2)11-6-10(4-3-5-14)7-12(13)8-11/h5-9H,3-4H2,1-2H3
InChIKeyOQMYAPFNSNOUHC-UHFFFAOYSA-N
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.08
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

(3-fluoro-5-propan-2-ylphenyl)methanol
CID 59192640
3-[3,5-bis(difluoromethyl)phenyl]propanal
CID 166641239
2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile
CID 84767390
1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol
CID 130224243
1-(2-fluoroethyl)-3,5-di(propan-2-yl)benzene
CID 68591438
N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-methylazetidin-3-amine
CID 129264272
methyl 3-[3-fluoro-5-(1-formyloxyethyl)phenyl]propanoate
CID 175573916
1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene
CID 118404669
3-(3-fluoro-5-methylphenyl)butanal
CID 117278356
5-(3,5-difluorophenyl)heptanal
CID 174797342
1,3-dibutyl-5-propan-2-ylbenzene
CID 19812391
3-(3-chloro-4-methoxy-5-propan-2-ylphenyl)propanal
CID 117354184

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-propan-2-ylphenyl)propanal?
The IUPAC name of 3-(3-fluoro-5-propan-2-ylphenyl)propanal (CID 117284667) is 3-(3-fluoro-5-propan-2-ylphenyl)propanal.
What is the SMILES notation for 3-(3-fluoro-5-propan-2-ylphenyl)propanal?
The canonical SMILES for 3-(3-fluoro-5-propan-2-ylphenyl)propanal is CC(C)c1cc(F)cc(CCC=O)c1.
What is the InChIKey of 3-(3-fluoro-5-propan-2-ylphenyl)propanal?
The InChIKey is OQMYAPFNSNOUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-9(2)11-6-10(4-3-5-14)7-12(13)8-11/h5-9H,3-4H2,1-2H3.
What are the key properties of 3-(3-fluoro-5-propan-2-ylphenyl)propanal?
3-(3-fluoro-5-propan-2-ylphenyl)propanal has a molecular weight of 194.25 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-propan-2-ylphenyl)propanal is sourced from PubChem (CID 117284667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).