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

C14H27F2NO2 — CID 171633099

IUPACN-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide;ethane
SMILESCC.COCC(C)(C)C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C12H21F2NO2.C2H6/c1-11(2,8-17-3)10(16)15-9-4-6-12(13,14)7-5-9;1-2/h9H,4-8H2,1-3H3,(H,15,16);1-2H3
InChIKeyXVGZJLUHXOIOBS-UHFFFAOYSA-N
MW279.37 g/mol
LogP3.38
Rot. Bonds4

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

N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide;ethane (PubChem CID 171633099) has the molecular formula C14H27F2NO2 and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide;ethane.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide;ethane
PubChem CID171633099
Molecular FormulaC14H27F2NO2
Molecular Weight279.37 g/mol
Exact Mass279.20
IUPAC NameN-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide;ethane
SMILESCC.COCC(C)(C)C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C12H21F2NO2.C2H6/c1-11(2,8-17-3)10(16)15-9-4-6-12(13,14)7-5-9;1-2/h9H,4-8H2,1-3H3,(H,15,16);1-2H3
InChIKeyXVGZJLUHXOIOBS-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 53.38
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-methoxy-2,2-dimethylpropanamide;ethane?
The IUPAC name of N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide;ethane (CID 171633099) is N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide;ethane.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide;ethane?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide;ethane is CC.COCC(C)(C)C(=O)NC1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide;ethane?
The InChIKey is XVGZJLUHXOIOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2.C2H6/c1-11(2,8-17-3)10(16)15-9-4-6-12(13,14)7-5-9;1-2/h9H,4-8H2,1-3H3,(H,15,16);1-2H3.
What are the key properties of N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide;ethane?
N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide;ethane has a molecular weight of 279.37 g/mol, XLogP of 3.38, 4 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-methoxy-2,2-dimethylpropanamide;ethane is sourced from PubChem (CID 171633099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).