2,2-difluoro-3,3-dimethyl-N-propylcyclopropane-1-carboxamide;ethane

C11H21F2NO — CID 164555511

IUPAC2,2-difluoro-3,3-dimethyl-N-propylcyclopropane-1-carboxamide;ethane
SMILESCC.CCCNC(=O)C1C(C)(C)C1(F)F
InChIInChI=1S/C9H15F2NO.C2H6/c1-4-5-12-7(13)6-8(2,3)9(6,10)11;1-2/h6H,4-5H2,1-3H3,(H,12,13);1-2H3
InChIKeyZAWXBZVFWMCTIW-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.83
Rot. Bonds3

About 2,2-difluoro-3,3-dimethyl-N-propylcyclopropane-1-carboxamide;ethane

2,2-difluoro-3,3-dimethyl-N-propylcyclopropane-1-carboxamide;ethane (PubChem CID 164555511) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 2,2-difluoro-3,3-dimethyl-N-propylcyclopropane-1-carboxamide;ethane.

Molecular Properties

Compound Name2,2-difluoro-3,3-dimethyl-N-propylcyclopropane-1-carboxamide;ethane
PubChem CID164555511
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name2,2-difluoro-3,3-dimethyl-N-propylcyclopropane-1-carboxamide;ethane
SMILESCC.CCCNC(=O)C1C(C)(C)C1(F)F
InChIInChI=1S/C9H15F2NO.C2H6/c1-4-5-12-7(13)6-8(2,3)9(6,10)11;1-2/h6H,4-5H2,1-3H3,(H,12,13);1-2H3
InChIKeyZAWXBZVFWMCTIW-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3,3-dimethyl-N-propylcyclopropane-1-carboxamide;ethane?
The IUPAC name of 2,2-difluoro-3,3-dimethyl-N-propylcyclopropane-1-carboxamide;ethane (CID 164555511) is 2,2-difluoro-3,3-dimethyl-N-propylcyclopropane-1-carboxamide;ethane.
What is the SMILES notation for 2,2-difluoro-3,3-dimethyl-N-propylcyclopropane-1-carboxamide;ethane?
The canonical SMILES for 2,2-difluoro-3,3-dimethyl-N-propylcyclopropane-1-carboxamide;ethane is CC.CCCNC(=O)C1C(C)(C)C1(F)F.
What is the InChIKey of 2,2-difluoro-3,3-dimethyl-N-propylcyclopropane-1-carboxamide;ethane?
The InChIKey is ZAWXBZVFWMCTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO.C2H6/c1-4-5-12-7(13)6-8(2,3)9(6,10)11;1-2/h6H,4-5H2,1-3H3,(H,12,13);1-2H3.
What are the key properties of 2,2-difluoro-3,3-dimethyl-N-propylcyclopropane-1-carboxamide;ethane?
2,2-difluoro-3,3-dimethyl-N-propylcyclopropane-1-carboxamide;ethane has a molecular weight of 221.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,3-dimethyl-N-propylcyclopropane-1-carboxamide;ethane is sourced from PubChem (CID 164555511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).