2-fluorohept-1-en-3-one

C7H11FO — CID 12865320

IUPAC2-fluorohept-1-en-3-one
SMILESC=C(F)C(=O)CCCC
InChIInChI=1S/C7H11FO/c1-3-4-5-7(9)6(2)8/h2-5H2,1H3
InChIKeyWKMBAXMYLXJRAW-UHFFFAOYSA-N
MW130.16 g/mol
LogP2.23
Rot. Bonds4

About 2-fluorohept-1-en-3-one

2-fluorohept-1-en-3-one (PubChem CID 12865320) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is 2-fluorohept-1-en-3-one.

Molecular Properties

Compound Name2-fluorohept-1-en-3-one
PubChem CID12865320
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name2-fluorohept-1-en-3-one
SMILESC=C(F)C(=O)CCCC
InChIInChI=1S/C7H11FO/c1-3-4-5-7(9)6(2)8/h2-5H2,1H3
InChIKeyWKMBAXMYLXJRAW-UHFFFAOYSA-N
XLogP2.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 52.23
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

1-Hepten-3-one
CID 520420
3-Propyl-3-buten-2-one
CID 12288567
2-Fluorooct-1-en-3-one
CID 10920633
2-(Trifluoromethyl)hex-1-en-3-one
CID 20802289
6,6,6-Trifluoro-3-methylidenehexan-2-one
CID 57529275
5-Fluoro-3-methylidenehexane-2,4-dione
CID 90444889
6-Fluoro-3-methylidenehept-6-en-2-one
CID 143688264
4,6-Difluoro-2-methylhex-1-en-3-one
CID 170010905
1-Fluorohex-1-en-3-one
CID 174639775
2-Fluorohex-1-en-3-one
CID 71403570
7,7,7-Trifluorohept-1-en-3-one
CID 103453704
7-Fluorohept-1-en-3-one
CID 126980858

Frequently Asked Questions

What is the IUPAC name of 2-fluorohept-1-en-3-one?
The IUPAC name of 2-fluorohept-1-en-3-one (CID 12865320) is 2-fluorohept-1-en-3-one.
What is the SMILES notation for 2-fluorohept-1-en-3-one?
The canonical SMILES for 2-fluorohept-1-en-3-one is C=C(F)C(=O)CCCC.
What is the InChIKey of 2-fluorohept-1-en-3-one?
The InChIKey is WKMBAXMYLXJRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c1-3-4-5-7(9)6(2)8/h2-5H2,1H3.
What are the key properties of 2-fluorohept-1-en-3-one?
2-fluorohept-1-en-3-one has a molecular weight of 130.16 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorohept-1-en-3-one is sourced from PubChem (CID 12865320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).