2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide

C13H23F2NO — CID 90155064

IUPAC2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CC1CCCC(F)(F)C1
InChIInChI=1S/C13H23F2NO/c1-3-5-10(2)16-12(17)8-11-6-4-7-13(14,15)9-11/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyMTVNHZSFVSRWHY-UHFFFAOYSA-N
MW247.33 g/mol
LogP3.51
Rot. Bonds5

About 2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide

2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide (PubChem CID 90155064) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide
PubChem CID90155064
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CC1CCCC(F)(F)C1
InChIInChI=1S/C13H23F2NO/c1-3-5-10(2)16-12(17)8-11-6-4-7-13(14,15)9-11/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyMTVNHZSFVSRWHY-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-dicyclohexylpropanamide
CID 759108
N-cyclohexylcyclohexaneacetamide
CID 880907
N-cyclohexanecarbonylpentadecylamine
CID 44398718
N-butylcyclohexanecarboxamide
CID 3544722
N-cyclohexyl-3-cyclopentylpropanamide
CID 835664
3-cyclohexyl-N-[3-(dimethylamino)propyl]propanamide
CID 2582372
N-cyclohexylcyclohexanecarboxamide
CID 344739
N-Cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 3658277
2-cyclohexyl-N-dodecylacetamide
CID 22978779
Butyramide, N-(4-butylcyclohexyl)-
CID 58003
N-dodecylcyclohexanecarboxamide
CID 3730607
2-cyclohexyl-N-cyclopentylacetamide
CID 2285482

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide (CID 90155064) is 2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CC1CCCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide?
The InChIKey is MTVNHZSFVSRWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-3-5-10(2)16-12(17)8-11-6-4-7-13(14,15)9-11/h10-11H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide?
2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide has a molecular weight of 247.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide is sourced from PubChem (CID 90155064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).