1-(2-fluoro-4-propylphenyl)prop-2-en-1-one

C12H13FO — CID 19101325

IUPAC1-(2-fluoro-4-propylphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1ccc(CCC)cc1F
InChIInChI=1S/C12H13FO/c1-3-5-9-6-7-10(11(13)8-9)12(14)4-2/h4,6-8H,2-3,5H2,1H3
InChIKeyNYDCGTCOHOIBMW-UHFFFAOYSA-N
MW192.23 g/mol
LogP3.15
Rot. Bonds4

About 1-(2-fluoro-4-propylphenyl)prop-2-en-1-one

1-(2-fluoro-4-propylphenyl)prop-2-en-1-one (PubChem CID 19101325) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-(2-fluoro-4-propylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-fluoro-4-propylphenyl)prop-2-en-1-one
PubChem CID19101325
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name1-(2-fluoro-4-propylphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1ccc(CCC)cc1F
InChIInChI=1S/C12H13FO/c1-3-5-9-6-7-10(11(13)8-9)12(14)4-2/h4,6-8H,2-3,5H2,1H3
InChIKeyNYDCGTCOHOIBMW-UHFFFAOYSA-N
XLogP3.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-propylbenzamide
CID 175786906
1-(2-fluoro-4-propoxyphenyl)prop-2-en-1-one
CID 19101297
3-chloro-1-(2-fluoro-4-propylphenyl)propan-1-one
CID 19859591
[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl] 2-fluoro-4-propylbenzoate
CID 59247444
2-fluoro-4-nonylbenzoic acid
CID 57292315
2-fluoro-4-(propoxymethyl)benzoic acid
CID 18913749
4-but-3-enyl-2-fluorobenzoyl chloride
CID 45081978
1,2-difluoro-4-propylbenzene;methane
CID 160697343
1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene
CID 139790762
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]prop-2-en-1-one
CID 19101207
1-(2-fluoro-4,5-dimethylphenyl)prop-2-en-1-one
CID 83957904
[4-(5-propyl-2-pyridinyl)phenyl] 2-fluoro-4-propylbenzoate
CID 19859398

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-propylphenyl)prop-2-en-1-one?
The IUPAC name of 1-(2-fluoro-4-propylphenyl)prop-2-en-1-one (CID 19101325) is 1-(2-fluoro-4-propylphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-fluoro-4-propylphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(2-fluoro-4-propylphenyl)prop-2-en-1-one is C=CC(=O)c1ccc(CCC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-propylphenyl)prop-2-en-1-one?
The InChIKey is NYDCGTCOHOIBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-3-5-9-6-7-10(11(13)8-9)12(14)4-2/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 1-(2-fluoro-4-propylphenyl)prop-2-en-1-one?
1-(2-fluoro-4-propylphenyl)prop-2-en-1-one has a molecular weight of 192.23 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-propylphenyl)prop-2-en-1-one is sourced from PubChem (CID 19101325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).