2-cyclohexyl-3,3-difluoro-6-propyl-2H-pyran-4-one

C14H20F2O2 — CID 102411975

IUPAC2-cyclohexyl-3,3-difluoro-6-propyl-2H-pyran-4-one
SMILESCCCC1=CC(=O)C(F)(F)C(C2CCCCC2)O1
InChIInChI=1S/C14H20F2O2/c1-2-6-11-9-12(17)14(15,16)13(18-11)10-7-4-3-5-8-10/h9-10,13H,2-8H2,1H3
InChIKeyKLCIAXCBRUUUCE-UHFFFAOYSA-N
MW258.31 g/mol
LogP3.85
Rot. Bonds3

About 2-cyclohexyl-3,3-difluoro-6-propyl-2H-pyran-4-one

2-cyclohexyl-3,3-difluoro-6-propyl-2H-pyran-4-one (PubChem CID 102411975) has the molecular formula C14H20F2O2 and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-cyclohexyl-3,3-difluoro-6-propyl-2H-pyran-4-one.

Molecular Properties

Compound Name2-cyclohexyl-3,3-difluoro-6-propyl-2H-pyran-4-one
PubChem CID102411975
Molecular FormulaC14H20F2O2
Molecular Weight258.31 g/mol
Exact Mass258.14
IUPAC Name2-cyclohexyl-3,3-difluoro-6-propyl-2H-pyran-4-one
SMILESCCCC1=CC(=O)C(F)(F)C(C2CCCCC2)O1
InChIInChI=1S/C14H20F2O2/c1-2-6-11-9-12(17)14(15,16)13(18-11)10-7-4-3-5-8-10/h9-10,13H,2-8H2,1H3
InChIKeyKLCIAXCBRUUUCE-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hexyl-6-(trifluoromethyl)-2,3-dihydropyran-4-one
CID 10634406
2-(3-Methylbut-2-enyl)-3-propan-2-yloxy-6-(trifluoromethyl)cyclohex-2-en-1-one
CID 141519630
5-(2-Cyclohexylethoxy)-6-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one
CID 146557289
5-(Cyclohexylmethoxy)-6-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one
CID 146557357
(Z)-1-cyclohexyl-5-ethyl-7,7,7-trifluoro-4-methoxyhept-3-en-2-one
CID 167150840
(Z)-1-cyclohexyl-7-ethyl-9,9-difluoro-4-methoxynon-3-en-2-one
CID 169838878
2-Methyl-1-oxaspiro[5.5]undec-2-en-4-one
CID 13270906
3-(Trifluoromethyl)-2-oxaspiro[5.5]undec-3-en-5-one
CID 15312548
3-(1,1,2,2-Tetrafluoroethyl)-2-oxaspiro[5.5]undec-3-en-5-one
CID 15312550
(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648736
1,1,1-Trifluoro-4-(4-propoxycyclohex-3-en-1-yl)butan-2-one
CID 162598729
2-Butyl-1-oxaspiro[5.5]undec-2-en-4-one
CID 21111735

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3,3-difluoro-6-propyl-2H-pyran-4-one?
The IUPAC name of 2-cyclohexyl-3,3-difluoro-6-propyl-2H-pyran-4-one (CID 102411975) is 2-cyclohexyl-3,3-difluoro-6-propyl-2H-pyran-4-one.
What is the SMILES notation for 2-cyclohexyl-3,3-difluoro-6-propyl-2H-pyran-4-one?
The canonical SMILES for 2-cyclohexyl-3,3-difluoro-6-propyl-2H-pyran-4-one is CCCC1=CC(=O)C(F)(F)C(C2CCCCC2)O1.
What is the InChIKey of 2-cyclohexyl-3,3-difluoro-6-propyl-2H-pyran-4-one?
The InChIKey is KLCIAXCBRUUUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O2/c1-2-6-11-9-12(17)14(15,16)13(18-11)10-7-4-3-5-8-10/h9-10,13H,2-8H2,1H3.
What are the key properties of 2-cyclohexyl-3,3-difluoro-6-propyl-2H-pyran-4-one?
2-cyclohexyl-3,3-difluoro-6-propyl-2H-pyran-4-one has a molecular weight of 258.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3,3-difluoro-6-propyl-2H-pyran-4-one is sourced from PubChem (CID 102411975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).