2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide

C8H13F2NO — CID 165385919

IUPAC2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide
SMILESC[C@@H]1CC[C@H](NC(=O)C(F)F)C1
InChIInChI=1S/C8H13F2NO/c1-5-2-3-6(4-5)11-8(12)7(9)10/h5-7H,2-4H2,1H3,(H,11,12)/t5-,6+/m1/s1
InChIKeyYNJSVCIIKUNLSS-RITPCOANSA-N
MW177.19 g/mol
LogP1.56
Rot. Bonds2

About 2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide

2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide (PubChem CID 165385919) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide
PubChem CID165385919
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide
SMILESC[C@@H]1CC[C@H](NC(=O)C(F)F)C1
InChIInChI=1S/C8H13F2NO/c1-5-2-3-6(4-5)11-8(12)7(9)10/h5-7H,2-4H2,1H3,(H,11,12)/t5-,6+/m1/s1
InChIKeyYNJSVCIIKUNLSS-RITPCOANSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid
CID 103513356
2-chloro-N-(3-methylcyclopentyl)propanamide
CID 114544468
2-methoxy-N-(3-methylcyclopentyl)propanamide
CID 114541432
3,3-dimethyl-2-[(3-methylcyclopentyl)carbamoyl]butanoic acid
CID 114550582
1-amino-3-(3-methylcyclopentyl)urea
CID 114549381
2-methyl-N-(3-methylcyclopentyl)cyclopropane-1-carboxamide
CID 114549485
N-(3,6-dimethylcycloheptyl)acetamide
CID 89468976
N-cyclopentyl-2,2-difluoroacetamide
CID 103600661
2-amino-3-methoxy-N-(3-methylcyclopentyl)propanamide
CID 114546127
2-amino-N-(3-methylcyclopentyl)acetamide
CID 114546114
2-methyl-N-(3-methylcyclohexyl)propanamide
CID 60739958
3-amino-N-(3-methylcyclopentyl)butanamide
CID 114546157

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide (CID 165385919) is 2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide is C[C@@H]1CC[C@H](NC(=O)C(F)F)C1.
What is the InChIKey of 2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide?
The InChIKey is YNJSVCIIKUNLSS-RITPCOANSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-5-2-3-6(4-5)11-8(12)7(9)10/h5-7H,2-4H2,1H3,(H,11,12)/t5-,6+/m1/s1.
What are the key properties of 2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide?
2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide has a molecular weight of 177.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(1S,3R)-3-methylcyclopentyl]acetamide is sourced from PubChem (CID 165385919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).