12-fluorododecan-2-one

C12H23FO — CID 11623

IUPAC12-fluorododecan-2-one
SMILESCC(=O)CCCCCCCCCCF
InChIInChI=1S/C12H23FO/c1-12(14)10-8-6-4-2-3-5-7-9-11-13/h2-11H2,1H3
InChIKeyFGHBRNRFQMGLKK-UHFFFAOYSA-N
MW202.31 g/mol
LogP4.06
Rot. Bonds10

About 12-fluorododecan-2-one

12-fluorododecan-2-one (PubChem CID 11623) has the molecular formula C12H23FO and a molecular weight of 202.31 g/mol. Its IUPAC name is 12-fluorododecan-2-one.

Molecular Properties

Compound Name12-fluorododecan-2-one
PubChem CID11623
Molecular FormulaC12H23FO
Molecular Weight202.31 g/mol
Exact Mass202.17
IUPAC Name12-fluorododecan-2-one
SMILESCC(=O)CCCCCCCCCCF
InChIInChI=1S/C12H23FO/c1-12(14)10-8-6-4-2-3-5-7-9-11-13/h2-11H2,1H3
InChIKeyFGHBRNRFQMGLKK-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 54.06
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

docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
decan-2-one
CID 12741
octadecakis(hexane);nonan-2-one
CID 173226284
8-fluorooctanoic acid
CID 9616
nonan-2-one
CID 13187
21-hydroxyhenicosan-2-one
CID 153324955
19-hydroxynonadecan-2-one
CID 123829227
tricosan-2-one
CID 529806
docosan-2-one
CID 522660
nonatriacontan-2-one
CID 141365496
dotriactane-2,7,8,13,14,19,20,25,26,31,32,37,38,43,44,49,50,55,56,61,62,67,68,73,74,79,80,85,86,91,92,97,98,103,104,109,110,115,116,121,122,127,128,133,134,139,140,145,146,151,152,157,158,163,164,169,170,175,176,181,182,187,188,193,194,199,200,205,206,211,212,217,218,223,224,229,230,235,236,241,242,247,248,253,254,259,260,265,266,271,272,277,278,283,284,289,290,295,296,301-hectone
CID 140812366

Frequently Asked Questions

What is the IUPAC name of 12-fluorododecan-2-one?
The IUPAC name of 12-fluorododecan-2-one (CID 11623) is 12-fluorododecan-2-one.
What is the SMILES notation for 12-fluorododecan-2-one?
The canonical SMILES for 12-fluorododecan-2-one is CC(=O)CCCCCCCCCCF.
What is the InChIKey of 12-fluorododecan-2-one?
The InChIKey is FGHBRNRFQMGLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FO/c1-12(14)10-8-6-4-2-3-5-7-9-11-13/h2-11H2,1H3.
What are the key properties of 12-fluorododecan-2-one?
12-fluorododecan-2-one has a molecular weight of 202.31 g/mol, XLogP of 4.06, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-fluorododecan-2-one is sourced from PubChem (CID 11623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).