(Z)-5-fluoro-4-methylhex-4-en-3-one

C7H11FO — CID 130272252

IUPAC(Z)-5-fluoro-4-methylhex-4-en-3-one
SMILESCCC(=O)/C(C)=C(/C)F
InChIInChI=1S/C7H11FO/c1-4-7(9)5(2)6(3)8/h4H2,1-3H3/b6-5-
InChIKeyDVYWREAKYDADHE-WAYWQWQTSA-N
MW130.16 g/mol
LogP2.23
Rot. Bonds2

About (Z)-5-fluoro-4-methylhex-4-en-3-one

(Z)-5-fluoro-4-methylhex-4-en-3-one (PubChem CID 130272252) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is (Z)-5-fluoro-4-methylhex-4-en-3-one.

Molecular Properties

Compound Name(Z)-5-fluoro-4-methylhex-4-en-3-one
PubChem CID130272252
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name(Z)-5-fluoro-4-methylhex-4-en-3-one
SMILESCCC(=O)/C(C)=C(/C)F
InChIInChI=1S/C7H11FO/c1-4-7(9)5(2)6(3)8/h4H2,1-3H3/b6-5-
InChIKeyDVYWREAKYDADHE-WAYWQWQTSA-N
XLogP2.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (Z)-5-fluoro-4-methylhex-4-en-3-one?
The IUPAC name of (Z)-5-fluoro-4-methylhex-4-en-3-one (CID 130272252) is (Z)-5-fluoro-4-methylhex-4-en-3-one.
What is the SMILES notation for (Z)-5-fluoro-4-methylhex-4-en-3-one?
The canonical SMILES for (Z)-5-fluoro-4-methylhex-4-en-3-one is CCC(=O)/C(C)=C(/C)F.
What is the InChIKey of (Z)-5-fluoro-4-methylhex-4-en-3-one?
The InChIKey is DVYWREAKYDADHE-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H11FO/c1-4-7(9)5(2)6(3)8/h4H2,1-3H3/b6-5-.
What are the key properties of (Z)-5-fluoro-4-methylhex-4-en-3-one?
(Z)-5-fluoro-4-methylhex-4-en-3-one has a molecular weight of 130.16 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-fluoro-4-methylhex-4-en-3-one is sourced from PubChem (CID 130272252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).