(Z)-2-fluoro-1-(furan-2-yl)hept-1-en-3-one

C11H13FO2 — CID 15535984

IUPAC(Z)-2-fluoro-1-(furan-2-yl)hept-1-en-3-one
SMILESCCCCC(=O)/C(F)=C/c1ccco1
InChIInChI=1S/C11H13FO2/c1-2-3-6-11(13)10(12)8-9-5-4-7-14-9/h4-5,7-8H,2-3,6H2,1H3/b10-8-
InChIKeyMGELXGGBZMSCJE-NTMALXAHSA-N
MW196.22 g/mol
LogP3.35
Rot. Bonds5

About (Z)-2-fluoro-1-(furan-2-yl)hept-1-en-3-one

(Z)-2-fluoro-1-(furan-2-yl)hept-1-en-3-one (PubChem CID 15535984) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is (Z)-2-fluoro-1-(furan-2-yl)hept-1-en-3-one.

Molecular Properties

Compound Name(Z)-2-fluoro-1-(furan-2-yl)hept-1-en-3-one
PubChem CID15535984
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name(Z)-2-fluoro-1-(furan-2-yl)hept-1-en-3-one
SMILESCCCCC(=O)/C(F)=C/c1ccco1
InChIInChI=1S/C11H13FO2/c1-2-3-6-11(13)10(12)8-9-5-4-7-14-9/h4-5,7-8H,2-3,6H2,1H3/b10-8-
InChIKeyMGELXGGBZMSCJE-NTMALXAHSA-N
XLogP3.35
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-1-(furan-2-yl)hept-1-en-3-one?
The IUPAC name of (Z)-2-fluoro-1-(furan-2-yl)hept-1-en-3-one (CID 15535984) is (Z)-2-fluoro-1-(furan-2-yl)hept-1-en-3-one.
What is the SMILES notation for (Z)-2-fluoro-1-(furan-2-yl)hept-1-en-3-one?
The canonical SMILES for (Z)-2-fluoro-1-(furan-2-yl)hept-1-en-3-one is CCCCC(=O)/C(F)=C/c1ccco1.
What is the InChIKey of (Z)-2-fluoro-1-(furan-2-yl)hept-1-en-3-one?
The InChIKey is MGELXGGBZMSCJE-NTMALXAHSA-N. The full InChI is InChI=1S/C11H13FO2/c1-2-3-6-11(13)10(12)8-9-5-4-7-14-9/h4-5,7-8H,2-3,6H2,1H3/b10-8-.
What are the key properties of (Z)-2-fluoro-1-(furan-2-yl)hept-1-en-3-one?
(Z)-2-fluoro-1-(furan-2-yl)hept-1-en-3-one has a molecular weight of 196.22 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-1-(furan-2-yl)hept-1-en-3-one is sourced from PubChem (CID 15535984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).