2-fluoro-2-(4-propylphenyl)propanal

C12H15FO — CID 105448168

IUPAC2-fluoro-2-(4-propylphenyl)propanal
SMILESCCCc1ccc(C(C)(F)C=O)cc1
InChIInChI=1S/C12H15FO/c1-3-4-10-5-7-11(8-6-10)12(2,13)9-14/h5-9H,3-4H2,1-2H3
InChIKeyPYPIDERTHGOKQO-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.02
Rot. Bonds4

About 2-fluoro-2-(4-propylphenyl)propanal

2-fluoro-2-(4-propylphenyl)propanal (PubChem CID 105448168) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-fluoro-2-(4-propylphenyl)propanal.

Molecular Properties

Compound Name2-fluoro-2-(4-propylphenyl)propanal
PubChem CID105448168
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name2-fluoro-2-(4-propylphenyl)propanal
SMILESCCCc1ccc(C(C)(F)C=O)cc1
InChIInChI=1S/C12H15FO/c1-3-4-10-5-7-11(8-6-10)12(2,13)9-14/h5-9H,3-4H2,1-2H3
InChIKeyPYPIDERTHGOKQO-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
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

1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene
CID 71656112
3-methyl-3-(4-propylphenyl)butan-2-one
CID 82282891
1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene
CID 139623961
1-[difluoro-(4-pentylphenyl)methyl]-4-propylbenzene
CID 20705616
3,3-difluoro-3-(4-propylphenyl)propanoic acid
CID 116838337
1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine
CID 66205585
(4-tert-butylphenyl)-(4-propylphenyl)methanone
CID 24723303
3-(4-tert-butylphenyl)propanal
CID 87303470
N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]propan-2-yl]phenyl]-N-phenyl-4-propylaniline
CID 143635406
N-methyl-N'-[2-methyl-2-(4-propylphenyl)propyl]methanediamine
CID 115227465
1-(4-ethylphenyl)-1-(4-propylphenyl)ethanamine
CID 63408118
N-[2-methyl-2-(4-propylphenyl)propyl]carbamoyl bromide
CID 115194217

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-propylphenyl)propanal?
The IUPAC name of 2-fluoro-2-(4-propylphenyl)propanal (CID 105448168) is 2-fluoro-2-(4-propylphenyl)propanal.
What is the SMILES notation for 2-fluoro-2-(4-propylphenyl)propanal?
The canonical SMILES for 2-fluoro-2-(4-propylphenyl)propanal is CCCc1ccc(C(C)(F)C=O)cc1.
What is the InChIKey of 2-fluoro-2-(4-propylphenyl)propanal?
The InChIKey is PYPIDERTHGOKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-3-4-10-5-7-11(8-6-10)12(2,13)9-14/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-2-(4-propylphenyl)propanal?
2-fluoro-2-(4-propylphenyl)propanal has a molecular weight of 194.25 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-propylphenyl)propanal is sourced from PubChem (CID 105448168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).