N-(4,4-difluorocyclohexyl)-3-ethoxy-2,2-dimethylpropanamide;ethane

C15H29F2NO2 — CID 171632848

IUPACN-(4,4-difluorocyclohexyl)-3-ethoxy-2,2-dimethylpropanamide;ethane
SMILESCC.CCOCC(C)(C)C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C13H23F2NO2.C2H6/c1-4-18-9-12(2,3)11(17)16-10-5-7-13(14,15)8-6-10;1-2/h10H,4-9H2,1-3H3,(H,16,17);1-2H3
InChIKeyCFSUVZHEWAYBIA-UHFFFAOYSA-N
MW293.40 g/mol
LogP3.77
Rot. Bonds5

About N-(4,4-difluorocyclohexyl)-3-ethoxy-2,2-dimethylpropanamide;ethane

N-(4,4-difluorocyclohexyl)-3-ethoxy-2,2-dimethylpropanamide;ethane (PubChem CID 171632848) has the molecular formula C15H29F2NO2 and a molecular weight of 293.40 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-3-ethoxy-2,2-dimethylpropanamide;ethane.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-3-ethoxy-2,2-dimethylpropanamide;ethane
PubChem CID171632848
Molecular FormulaC15H29F2NO2
Molecular Weight293.40 g/mol
Exact Mass293.22
IUPAC NameN-(4,4-difluorocyclohexyl)-3-ethoxy-2,2-dimethylpropanamide;ethane
SMILESCC.CCOCC(C)(C)C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C13H23F2NO2.C2H6/c1-4-18-9-12(2,3)11(17)16-10-5-7-13(14,15)8-6-10;1-2/h10H,4-9H2,1-3H3,(H,16,17);1-2H3
InChIKeyCFSUVZHEWAYBIA-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-3-ethoxy-2,2-dimethylpropanamide;ethane?
The IUPAC name of N-(4,4-difluorocyclohexyl)-3-ethoxy-2,2-dimethylpropanamide;ethane (CID 171632848) is N-(4,4-difluorocyclohexyl)-3-ethoxy-2,2-dimethylpropanamide;ethane.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-3-ethoxy-2,2-dimethylpropanamide;ethane?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-3-ethoxy-2,2-dimethylpropanamide;ethane is CC.CCOCC(C)(C)C(=O)NC1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-3-ethoxy-2,2-dimethylpropanamide;ethane?
The InChIKey is CFSUVZHEWAYBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO2.C2H6/c1-4-18-9-12(2,3)11(17)16-10-5-7-13(14,15)8-6-10;1-2/h10H,4-9H2,1-3H3,(H,16,17);1-2H3.
What are the key properties of N-(4,4-difluorocyclohexyl)-3-ethoxy-2,2-dimethylpropanamide;ethane?
N-(4,4-difluorocyclohexyl)-3-ethoxy-2,2-dimethylpropanamide;ethane has a molecular weight of 293.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-3-ethoxy-2,2-dimethylpropanamide;ethane is sourced from PubChem (CID 171632848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).