12,12-difluorododec-11-en-2-one

C12H20F2O — CID 19915358

IUPAC12,12-difluorododec-11-en-2-one
SMILESCC(=O)CCCCCCCCC=C(F)F
InChIInChI=1S/C12H20F2O/c1-11(15)9-7-5-3-2-4-6-8-10-12(13)14/h10H,2-9H2,1H3
InChIKeyJVMOESFHZHWGPU-UHFFFAOYSA-N
MW218.29 g/mol
LogP4.48
Rot. Bonds9

About 12,12-difluorododec-11-en-2-one

12,12-difluorododec-11-en-2-one (PubChem CID 19915358) has the molecular formula C12H20F2O and a molecular weight of 218.29 g/mol. Its IUPAC name is 12,12-difluorododec-11-en-2-one.

Molecular Properties

Compound Name12,12-difluorododec-11-en-2-one
PubChem CID19915358
Molecular FormulaC12H20F2O
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name12,12-difluorododec-11-en-2-one
SMILESCC(=O)CCCCCCCCC=C(F)F
InChIInChI=1S/C12H20F2O/c1-11(15)9-7-5-3-2-4-6-8-10-12(13)14/h10H,2-9H2,1H3
InChIKeyJVMOESFHZHWGPU-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

12,12-difluorododec-11-enoyl chloride
CID 14855873
hexadec-8-ene-2,15-dione
CID 91429732
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
6,6-difluorohex-5-enoic acid
CID 11298056
tetratriacont-20-en-2-one
CID 56637991
(E)-dotriacont-23-en-2-one
CID 5365248
(Z)-pentacos-16-en-2-one
CID 90307095
(E)-icos-10-en-2-one
CID 137410632
(Z)-heptadec-7-en-2-one
CID 90307080
(Z)-tricos-16-en-2-one
CID 134866400
henicos-9-en-2-one
CID 91100997

Frequently Asked Questions

What is the IUPAC name of 12,12-difluorododec-11-en-2-one?
The IUPAC name of 12,12-difluorododec-11-en-2-one (CID 19915358) is 12,12-difluorododec-11-en-2-one.
What is the SMILES notation for 12,12-difluorododec-11-en-2-one?
The canonical SMILES for 12,12-difluorododec-11-en-2-one is CC(=O)CCCCCCCCC=C(F)F.
What is the InChIKey of 12,12-difluorododec-11-en-2-one?
The InChIKey is JVMOESFHZHWGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O/c1-11(15)9-7-5-3-2-4-6-8-10-12(13)14/h10H,2-9H2,1H3.
What are the key properties of 12,12-difluorododec-11-en-2-one?
12,12-difluorododec-11-en-2-one has a molecular weight of 218.29 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-difluorododec-11-en-2-one is sourced from PubChem (CID 19915358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).