6-fluoro-3-methylidenehept-6-en-2-one

C8H11FO — CID 143688264

IUPAC6-fluoro-3-methylidenehept-6-en-2-one
SMILESC=C(F)CCC(=C)C(C)=O
InChIInChI=1S/C8H11FO/c1-6(8(3)10)4-5-7(2)9/h1-2,4-5H2,3H3
InChIKeyAFGSSGFCTJHKDR-UHFFFAOYSA-N
MW142.17 g/mol
LogP2.39
Rot. Bonds4

About 6-fluoro-3-methylidenehept-6-en-2-one

6-fluoro-3-methylidenehept-6-en-2-one (PubChem CID 143688264) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 6-fluoro-3-methylidenehept-6-en-2-one.

Molecular Properties

Compound Name6-fluoro-3-methylidenehept-6-en-2-one
PubChem CID143688264
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name6-fluoro-3-methylidenehept-6-en-2-one
SMILESC=C(F)CCC(=C)C(C)=O
InChIInChI=1S/C8H11FO/c1-6(8(3)10)4-5-7(2)9/h1-2,4-5H2,3H3
InChIKeyAFGSSGFCTJHKDR-UHFFFAOYSA-N
XLogP2.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 52.39
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-Methyl-5-hexen-2-one
CID 228604
5-Methyl-3-methylidenehex-5-en-2-one
CID 103953
5-Methyl-3-methylene-2-hexanone
CID 14473
5-Methylhex-5-ene-2,4-dione
CID 15683512
4-(Difluoromethylidene)-2-methyloct-1-en-3-one
CID 10012699
5-Methylene-3-heptanone
CID 545104
3-Propyl-3-buten-2-one
CID 12288567
2-Methylhept-1-en-3-one
CID 12585813
Ethylpropylacrolein
CID 13140441
2-Fluorooct-1-en-3-one
CID 10920633
2-Fluorohept-1-en-3-one
CID 12865320
3-Methylideneoctan-4-one
CID 11815902

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methylidenehept-6-en-2-one?
The IUPAC name of 6-fluoro-3-methylidenehept-6-en-2-one (CID 143688264) is 6-fluoro-3-methylidenehept-6-en-2-one.
What is the SMILES notation for 6-fluoro-3-methylidenehept-6-en-2-one?
The canonical SMILES for 6-fluoro-3-methylidenehept-6-en-2-one is C=C(F)CCC(=C)C(C)=O.
What is the InChIKey of 6-fluoro-3-methylidenehept-6-en-2-one?
The InChIKey is AFGSSGFCTJHKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-6(8(3)10)4-5-7(2)9/h1-2,4-5H2,3H3.
What are the key properties of 6-fluoro-3-methylidenehept-6-en-2-one?
6-fluoro-3-methylidenehept-6-en-2-one has a molecular weight of 142.17 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methylidenehept-6-en-2-one is sourced from PubChem (CID 143688264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).