2-(4,4-difluorocyclohexyl)-N-methylacetamide;ethane

C11H21F2NO — CID 145422308

IUPAC2-(4,4-difluorocyclohexyl)-N-methylacetamide;ethane
SMILESCC.CNC(=O)CC1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO.C2H6/c1-12-8(13)6-7-2-4-9(10,11)5-3-7;1-2/h7H,2-6H2,1H3,(H,12,13);1-2H3
InChIKeyFRQBSGORBSCZDC-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.97
Rot. Bonds2

About 2-(4,4-difluorocyclohexyl)-N-methylacetamide;ethane

2-(4,4-difluorocyclohexyl)-N-methylacetamide;ethane (PubChem CID 145422308) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-N-methylacetamide;ethane.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-N-methylacetamide;ethane
PubChem CID145422308
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name2-(4,4-difluorocyclohexyl)-N-methylacetamide;ethane
SMILESCC.CNC(=O)CC1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO.C2H6/c1-12-8(13)6-7-2-4-9(10,11)5-3-7;1-2/h7H,2-6H2,1H3,(H,12,13);1-2H3
InChIKeyFRQBSGORBSCZDC-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-N-methylacetamide;ethane?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-N-methylacetamide;ethane (CID 145422308) is 2-(4,4-difluorocyclohexyl)-N-methylacetamide;ethane.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-N-methylacetamide;ethane?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-N-methylacetamide;ethane is CC.CNC(=O)CC1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-N-methylacetamide;ethane?
The InChIKey is FRQBSGORBSCZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO.C2H6/c1-12-8(13)6-7-2-4-9(10,11)5-3-7;1-2/h7H,2-6H2,1H3,(H,12,13);1-2H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)-N-methylacetamide;ethane?
2-(4,4-difluorocyclohexyl)-N-methylacetamide;ethane has a molecular weight of 221.29 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-N-methylacetamide;ethane is sourced from PubChem (CID 145422308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).