5-(4-fluorophenyl)hex-1-en-3-one

C12H13FO — CID 144795052

IUPAC5-(4-fluorophenyl)hex-1-en-3-one
SMILESC=CC(=O)CC(C)c1ccc(F)cc1
InChIInChI=1S/C12H13FO/c1-3-12(14)8-9(2)10-4-6-11(13)7-5-10/h3-7,9H,1,8H2,2H3
InChIKeyAEAMDNCBXDPZFC-UHFFFAOYSA-N
MW192.23 g/mol
LogP3.07
Rot. Bonds4

About 5-(4-fluorophenyl)hex-1-en-3-one

5-(4-fluorophenyl)hex-1-en-3-one (PubChem CID 144795052) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 5-(4-fluorophenyl)hex-1-en-3-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)hex-1-en-3-one
PubChem CID144795052
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name5-(4-fluorophenyl)hex-1-en-3-one
SMILESC=CC(=O)CC(C)c1ccc(F)cc1
InChIInChI=1S/C12H13FO/c1-3-12(14)8-9(2)10-4-6-11(13)7-5-10/h3-7,9H,1,8H2,2H3
InChIKeyAEAMDNCBXDPZFC-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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

5-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]hex-1-en-3-one
CID 159134115
(2R)-2-[3-(4-fluorophenyl)butanoylamino]propanoic acid
CID 119244525
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
1-(4-fluorophenyl)but-3-en-2-one
CID 21099291
3-(4-fluorophenyl)butanoyl 2,2-dimethylpropanoate
CID 11219324
(3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide
CID 100920350
3-(4-fluorophenyl)-N-(3-hydroxypropyl)butanamide
CID 110901174
(3S)-3-(4-fluorophenyl)pent-4-enoic acid
CID 124635167
1-butan-2-yl-4-fluorobenzene
CID 11829648
1-fluoro-4-pent-4-yn-2-ylbenzene
CID 83930939
3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)butan-1-one
CID 146388976
3-(4-fluorophenyl)-1-(1,2,5-triazaspiro[2.3]hex-1-en-5-yl)butan-1-one
CID 139018033

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)hex-1-en-3-one?
The IUPAC name of 5-(4-fluorophenyl)hex-1-en-3-one (CID 144795052) is 5-(4-fluorophenyl)hex-1-en-3-one.
What is the SMILES notation for 5-(4-fluorophenyl)hex-1-en-3-one?
The canonical SMILES for 5-(4-fluorophenyl)hex-1-en-3-one is C=CC(=O)CC(C)c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)hex-1-en-3-one?
The InChIKey is AEAMDNCBXDPZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-3-12(14)8-9(2)10-4-6-11(13)7-5-10/h3-7,9H,1,8H2,2H3.
What are the key properties of 5-(4-fluorophenyl)hex-1-en-3-one?
5-(4-fluorophenyl)hex-1-en-3-one has a molecular weight of 192.23 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)hex-1-en-3-one is sourced from PubChem (CID 144795052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).