2-fluoro-2-prop-2-enylcyclododecan-1-one

C15H25FO — CID 14342872

IUPAC2-fluoro-2-prop-2-enylcyclododecan-1-one
SMILESC=CCC1(F)CCCCCCCCCCC1=O
InChIInChI=1S/C15H25FO/c1-2-12-15(16)13-10-8-6-4-3-5-7-9-11-14(15)17/h2H,1,3-13H2
InChIKeyBHMRDKRKGMMSBC-UHFFFAOYSA-N
MW240.36 g/mol
LogP4.75
Rot. Bonds2

About 2-fluoro-2-prop-2-enylcyclododecan-1-one

2-fluoro-2-prop-2-enylcyclododecan-1-one (PubChem CID 14342872) has the molecular formula C15H25FO and a molecular weight of 240.36 g/mol. Its IUPAC name is 2-fluoro-2-prop-2-enylcyclododecan-1-one.

Molecular Properties

Compound Name2-fluoro-2-prop-2-enylcyclododecan-1-one
PubChem CID14342872
Molecular FormulaC15H25FO
Molecular Weight240.36 g/mol
Exact Mass240.19
IUPAC Name2-fluoro-2-prop-2-enylcyclododecan-1-one
SMILESC=CCC1(F)CCCCCCCCCCC1=O
InChIInChI=1S/C15H25FO/c1-2-12-15(16)13-10-8-6-4-3-5-7-9-11-14(15)17/h2H,1,3-13H2
InChIKeyBHMRDKRKGMMSBC-UHFFFAOYSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 54.75
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

2-prop-2-enyl-2-(trifluoromethyl)cyclohexan-1-one
CID 24749464
2-methylidene-1-prop-2-enylcycloheptan-1-ol
CID 580411
2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one
CID 45098397
2-chloro-2-fluorocycloheptan-1-one
CID 132839395
prop-2-enyl 2-oxo-1-prop-2-enylcyclohexane-1-carboxylate
CID 12619400
2-ethenyl-2-hydroxycycloheptan-1-one
CID 130027172
(2S)-2-fluoro-2-(2-methylprop-2-enyl)cyclopentan-1-one
CID 130618180
1-[[(1S)-2-oxo-1-prop-2-enylcyclohexyl]methyl]piperidine-2,6-dione
CID 162418723
ethyl (1S)-2-oxo-1-prop-2-enylcyclohexane-1-carboxylate
CID 11074660
2-benzoyl-2-prop-2-enylcyclohexan-1-one
CID 11736648
(2S)-2-benzyl-2-prop-2-enylcyclohexan-1-one
CID 11183780
2-(4-nitrophenyl)-2-prop-2-enylcyclohexan-1-one
CID 132535562

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-prop-2-enylcyclododecan-1-one?
The IUPAC name of 2-fluoro-2-prop-2-enylcyclododecan-1-one (CID 14342872) is 2-fluoro-2-prop-2-enylcyclododecan-1-one.
What is the SMILES notation for 2-fluoro-2-prop-2-enylcyclododecan-1-one?
The canonical SMILES for 2-fluoro-2-prop-2-enylcyclododecan-1-one is C=CCC1(F)CCCCCCCCCCC1=O.
What is the InChIKey of 2-fluoro-2-prop-2-enylcyclododecan-1-one?
The InChIKey is BHMRDKRKGMMSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FO/c1-2-12-15(16)13-10-8-6-4-3-5-7-9-11-14(15)17/h2H,1,3-13H2.
What are the key properties of 2-fluoro-2-prop-2-enylcyclododecan-1-one?
2-fluoro-2-prop-2-enylcyclododecan-1-one has a molecular weight of 240.36 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-prop-2-enylcyclododecan-1-one is sourced from PubChem (CID 14342872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).