(5E)-1-fluoro-6,10-dimethylundeca-5,9-dien-2-one

C13H21FO — CID 134895626

IUPAC(5E)-1-fluoro-6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(C)=CCC/C(C)=C/CCC(=O)CF
InChIInChI=1S/C13H21FO/c1-11(2)6-4-7-12(3)8-5-9-13(15)10-14/h6,8H,4-5,7,9-10H2,1-3H3/b12-8+
InChIKeyONIKIBDUZMARHM-XYOKQWHBSA-N
MW212.31 g/mol
LogP4.00
Rot. Bonds7

About (5E)-1-fluoro-6,10-dimethylundeca-5,9-dien-2-one

(5E)-1-fluoro-6,10-dimethylundeca-5,9-dien-2-one (PubChem CID 134895626) has the molecular formula C13H21FO and a molecular weight of 212.31 g/mol. Its IUPAC name is (5E)-1-fluoro-6,10-dimethylundeca-5,9-dien-2-one.

Molecular Properties

Compound Name(5E)-1-fluoro-6,10-dimethylundeca-5,9-dien-2-one
PubChem CID134895626
Molecular FormulaC13H21FO
Molecular Weight212.31 g/mol
Exact Mass212.16
IUPAC Name(5E)-1-fluoro-6,10-dimethylundeca-5,9-dien-2-one
SMILESCC(C)=CCC/C(C)=C/CCC(=O)CF
InChIInChI=1S/C13H21FO/c1-11(2)6-4-7-12(3)8-5-9-13(15)10-14/h6,8H,4-5,7,9-10H2,1-3H3/b12-8+
InChIKeyONIKIBDUZMARHM-XYOKQWHBSA-N
XLogP4.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-5-hepten-2-one
CID 9862
Geranylacetone
CID 1549778
Teprenone
CID 5282199
Nerylacetone
CID 1713001
6,10-Dimethylundeca-5,9-Dien-2-One
CID 19633
Farnesyl acetone
CID 1711945
5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-
CID 61206
5-Octen-2-one, 6-methyl-
CID 91135
5-Nonen-2-one
CID 117910
5,9-Dodecadien-2-one, 6,10-dimethyl-
CID 114621
Farnesyl acetone, (5e,9Z)-
CID 1711944
(E)-5-Nonen-2-one
CID 5363537

Frequently Asked Questions

What is the IUPAC name of (5E)-1-fluoro-6,10-dimethylundeca-5,9-dien-2-one?
The IUPAC name of (5E)-1-fluoro-6,10-dimethylundeca-5,9-dien-2-one (CID 134895626) is (5E)-1-fluoro-6,10-dimethylundeca-5,9-dien-2-one.
What is the SMILES notation for (5E)-1-fluoro-6,10-dimethylundeca-5,9-dien-2-one?
The canonical SMILES for (5E)-1-fluoro-6,10-dimethylundeca-5,9-dien-2-one is CC(C)=CCC/C(C)=C/CCC(=O)CF.
What is the InChIKey of (5E)-1-fluoro-6,10-dimethylundeca-5,9-dien-2-one?
The InChIKey is ONIKIBDUZMARHM-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H21FO/c1-11(2)6-4-7-12(3)8-5-9-13(15)10-14/h6,8H,4-5,7,9-10H2,1-3H3/b12-8+.
What are the key properties of (5E)-1-fluoro-6,10-dimethylundeca-5,9-dien-2-one?
(5E)-1-fluoro-6,10-dimethylundeca-5,9-dien-2-one has a molecular weight of 212.31 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-fluoro-6,10-dimethylundeca-5,9-dien-2-one is sourced from PubChem (CID 134895626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).