6-ethyl-4-fluorodeca-3,6-dien-5-one

C12H19FO — CID 139816653

IUPAC6-ethyl-4-fluorodeca-3,6-dien-5-one
SMILESCCC=C(F)C(=O)C(=CCCC)CC
InChIInChI=1S/C12H19FO/c1-4-7-9-10(6-3)12(14)11(13)8-5-2/h8-9H,4-7H2,1-3H3
InChIKeyRVSFMFAEAMICER-UHFFFAOYSA-N
MW198.28 g/mol
LogP3.96
Rot. Bonds6

About 6-ethyl-4-fluorodeca-3,6-dien-5-one

6-ethyl-4-fluorodeca-3,6-dien-5-one (PubChem CID 139816653) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is 6-ethyl-4-fluorodeca-3,6-dien-5-one.

Molecular Properties

Compound Name6-ethyl-4-fluorodeca-3,6-dien-5-one
PubChem CID139816653
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name6-ethyl-4-fluorodeca-3,6-dien-5-one
SMILESCCC=C(F)C(=O)C(=CCCC)CC
InChIInChI=1S/C12H19FO/c1-4-7-9-10(6-3)12(14)11(13)8-5-2/h8-9H,4-7H2,1-3H3
InChIKeyRVSFMFAEAMICER-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

[(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate
CID 87703227
(E)-2-ethylhex-2-enamide
CID 87982228
prop-2-enyl 2-ethylhex-2-enoate
CID 139948290
6-ethyldec-6-ene-2,5-dione
CID 57181280
(Z)-2-fluorohept-2-enoic acid
CID 14691011
4-ethyl-3-methylideneoct-4-ene
CID 54376139
3-propylhept-3-en-2-one
CID 537652
(3E,5E)-4,5-diethylocta-3,5-diene
CID 5368963
dibutyltin(2+);bis(2-ethylhex-2-enoate)
CID 88626421
6-fluorotrideca-5,8-dien-7-one
CID 85312350
(Z)-1-fluoropent-1-en-1-ol
CID 173232591
2-fluorooct-2-enal
CID 130783642

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-fluorodeca-3,6-dien-5-one?
The IUPAC name of 6-ethyl-4-fluorodeca-3,6-dien-5-one (CID 139816653) is 6-ethyl-4-fluorodeca-3,6-dien-5-one.
What is the SMILES notation for 6-ethyl-4-fluorodeca-3,6-dien-5-one?
The canonical SMILES for 6-ethyl-4-fluorodeca-3,6-dien-5-one is CCC=C(F)C(=O)C(=CCCC)CC.
What is the InChIKey of 6-ethyl-4-fluorodeca-3,6-dien-5-one?
The InChIKey is RVSFMFAEAMICER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO/c1-4-7-9-10(6-3)12(14)11(13)8-5-2/h8-9H,4-7H2,1-3H3.
What are the key properties of 6-ethyl-4-fluorodeca-3,6-dien-5-one?
6-ethyl-4-fluorodeca-3,6-dien-5-one has a molecular weight of 198.28 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-fluorodeca-3,6-dien-5-one is sourced from PubChem (CID 139816653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).