N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2,2-dimethylpropanamide

C11H19F2NO — CID 129348576

IUPACN-[[(1R)-2,2-difluorocyclopentyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC[C@H]1CCCC1(F)F
InChIInChI=1S/C11H19F2NO/c1-10(2,3)9(15)14-7-8-5-4-6-11(8,12)13/h8H,4-7H2,1-3H3,(H,14,15)/t8-/m1/s1
InChIKeyQNOLEFOSXXDTOH-MRVPVSSYSA-N
MW219.27 g/mol
LogP2.58
Rot. Bonds2

About N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2,2-dimethylpropanamide

N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2,2-dimethylpropanamide (PubChem CID 129348576) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[(1R)-2,2-difluorocyclopentyl]methyl]-2,2-dimethylpropanamide
PubChem CID129348576
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC NameN-[[(1R)-2,2-difluorocyclopentyl]methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC[C@H]1CCCC1(F)F
InChIInChI=1S/C11H19F2NO/c1-10(2,3)9(15)14-7-8-5-4-6-11(8,12)13/h8H,4-7H2,1-3H3,(H,14,15)/t8-/m1/s1
InChIKeyQNOLEFOSXXDTOH-MRVPVSSYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 546371
N-(4-Methylpentyl)-2,2,2-trifluoroacetamide
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Pentafluoropropanamide, N-(2-ethylhexyl)-
CID 91726924
N-isobutylcyclopentanecarboxamide
CID 4460755
2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 60727758
N-(3-cyclopentylpropyl)-2,2,2-trifluoroacetamide
CID 103637527
N-(4-ethyloctyl)-2,2,2-trifluoroacetamide
CID 162404610
2,2,2-trifluoro-N-(4,6,6-trimethylheptyl)acetamide
CID 162406542
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclopentanecarboxamide
CID 51080881
N-cyclopentyl-3,3-difluoro-2,2-dimethylpropanamide
CID 124291953
N-(2-Ethylhexyl)heptafluorobutyramide
CID 545238
N-(2,2,2-trifluoroethyl)cyclopentanecarboxamide
CID 17901261

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2,2-dimethylpropanamide (CID 129348576) is N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC[C@H]1CCCC1(F)F.
What is the InChIKey of N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is QNOLEFOSXXDTOH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-10(2,3)9(15)14-7-8-5-4-6-11(8,12)13/h8H,4-7H2,1-3H3,(H,14,15)/t8-/m1/s1.
What are the key properties of N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2,2-dimethylpropanamide?
N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 219.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 129348576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).