1-cyclohexyl-4,5-difluoro-2-methylbenzene;ethanamine;piperidin-2-one

C20H32F2N2O — CID 153338522

IUPAC1-cyclohexyl-4,5-difluoro-2-methylbenzene;ethanamine;piperidin-2-one
SMILESCCN.Cc1cc(F)c(F)cc1C1CCCCC1.O=C1CCCCN1
InChIInChI=1S/C13H16F2.C5H9NO.C2H7N/c1-9-7-12(14)13(15)8-11(9)10-5-3-2-4-6-10;7-5-3-1-2-4-6-5;1-2-3/h7-8,10H,2-6H2,1H3;1-4H2,(H,6,7);2-3H2,1H3
InChIKeyMENDBZWEFKOYDO-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.57
Rot. Bonds1

About 1-cyclohexyl-4,5-difluoro-2-methylbenzene;ethanamine;piperidin-2-one

1-cyclohexyl-4,5-difluoro-2-methylbenzene;ethanamine;piperidin-2-one (PubChem CID 153338522) has the molecular formula C20H32F2N2O and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-cyclohexyl-4,5-difluoro-2-methylbenzene;ethanamine;piperidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4,5-difluoro-2-methylbenzene;ethanamine;piperidin-2-one
PubChem CID153338522
Molecular FormulaC20H32F2N2O
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Name1-cyclohexyl-4,5-difluoro-2-methylbenzene;ethanamine;piperidin-2-one
SMILESCCN.Cc1cc(F)c(F)cc1C1CCCCC1.O=C1CCCCN1
InChIInChI=1S/C13H16F2.C5H9NO.C2H7N/c1-9-7-12(14)13(15)8-11(9)10-5-3-2-4-6-10;7-5-3-1-2-4-6-5;1-2-3/h7-8,10H,2-6H2,1H3;1-4H2,(H,6,7);2-3H2,1H3
InChIKeyMENDBZWEFKOYDO-UHFFFAOYSA-N
XLogP4.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4,5-difluoro-2-methylbenzene;ethanamine;piperidin-2-one?
The IUPAC name of 1-cyclohexyl-4,5-difluoro-2-methylbenzene;ethanamine;piperidin-2-one (CID 153338522) is 1-cyclohexyl-4,5-difluoro-2-methylbenzene;ethanamine;piperidin-2-one.
What is the SMILES notation for 1-cyclohexyl-4,5-difluoro-2-methylbenzene;ethanamine;piperidin-2-one?
The canonical SMILES for 1-cyclohexyl-4,5-difluoro-2-methylbenzene;ethanamine;piperidin-2-one is CCN.Cc1cc(F)c(F)cc1C1CCCCC1.O=C1CCCCN1.
What is the InChIKey of 1-cyclohexyl-4,5-difluoro-2-methylbenzene;ethanamine;piperidin-2-one?
The InChIKey is MENDBZWEFKOYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2.C5H9NO.C2H7N/c1-9-7-12(14)13(15)8-11(9)10-5-3-2-4-6-10;7-5-3-1-2-4-6-5;1-2-3/h7-8,10H,2-6H2,1H3;1-4H2,(H,6,7);2-3H2,1H3.
What are the key properties of 1-cyclohexyl-4,5-difluoro-2-methylbenzene;ethanamine;piperidin-2-one?
1-cyclohexyl-4,5-difluoro-2-methylbenzene;ethanamine;piperidin-2-one has a molecular weight of 354.49 g/mol, XLogP of 4.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4,5-difluoro-2-methylbenzene;ethanamine;piperidin-2-one is sourced from PubChem (CID 153338522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).