7-fluorohept-1-en-3-one

C7H11FO — CID 126980858

IUPAC7-fluorohept-1-en-3-one
SMILESC=CC(=O)CCCCF
InChIInChI=1S/C7H11FO/c1-2-7(9)5-3-4-6-8/h2H,1,3-6H2
InChIKeyPGCDSNWXTYUJIM-UHFFFAOYSA-N
MW130.16 g/mol
LogP1.88
Rot. Bonds5

About 7-fluorohept-1-en-3-one

7-fluorohept-1-en-3-one (PubChem CID 126980858) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is 7-fluorohept-1-en-3-one.

Molecular Properties

Compound Name7-fluorohept-1-en-3-one
PubChem CID126980858
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name7-fluorohept-1-en-3-one
SMILESC=CC(=O)CCCCF
InChIInChI=1S/C7H11FO/c1-2-7(9)5-3-4-6-8/h2H,1,3-6H2
InChIKeyPGCDSNWXTYUJIM-UHFFFAOYSA-N
XLogP1.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Hepten-3-one
CID 520420
2-Fluorohept-1-en-3-one
CID 12865320
1,7-Octadien-3-one
CID 11804752
6-Heptadiene-3,5-dione
CID 85588169
2-Fluorohepta-1,6-dien-3-one
CID 12036165
8,8,8-Trifluorooct-1-EN-3-one
CID 21483755
1,1,1-Trifluoro-6-hepten-2-one
CID 64316126
6,6,6-Trifluorohex-1-en-3-one
CID 71387447
6-Fluorohex-1-en-3-one
CID 89294266
1-Fluorohex-1-en-3-one
CID 174639775
6-Heptene-2,5-dione
CID 536915
7-Iodohept-1-en-3-one
CID 10444190

Frequently Asked Questions

What is the IUPAC name of 7-fluorohept-1-en-3-one?
The IUPAC name of 7-fluorohept-1-en-3-one (CID 126980858) is 7-fluorohept-1-en-3-one.
What is the SMILES notation for 7-fluorohept-1-en-3-one?
The canonical SMILES for 7-fluorohept-1-en-3-one is C=CC(=O)CCCCF.
What is the InChIKey of 7-fluorohept-1-en-3-one?
The InChIKey is PGCDSNWXTYUJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c1-2-7(9)5-3-4-6-8/h2H,1,3-6H2.
What are the key properties of 7-fluorohept-1-en-3-one?
7-fluorohept-1-en-3-one has a molecular weight of 130.16 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluorohept-1-en-3-one is sourced from PubChem (CID 126980858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).