N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide

C10H17F2NO — CID 103515760

IUPACN-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide
SMILESCCC1CCC(NC(=O)C(F)F)C1C
InChIInChI=1S/C10H17F2NO/c1-3-7-4-5-8(6(7)2)13-10(14)9(11)12/h6-9H,3-5H2,1-2H3,(H,13,14)
InChIKeyYKBLJLKMHNDCGX-UHFFFAOYSA-N
MW205.25 g/mol
LogP2.19
Rot. Bonds3

About N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide

N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide (PubChem CID 103515760) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide
PubChem CID103515760
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide
SMILESCCC1CCC(NC(=O)C(F)F)C1C
InChIInChI=1S/C10H17F2NO/c1-3-7-4-5-8(6(7)2)13-10(14)9(11)12/h6-9H,3-5H2,1-2H3,(H,13,14)
InChIKeyYKBLJLKMHNDCGX-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide (CID 103515760) is N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide is CCC1CCC(NC(=O)C(F)F)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide?
The InChIKey is YKBLJLKMHNDCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-3-7-4-5-8(6(7)2)13-10(14)9(11)12/h6-9H,3-5H2,1-2H3,(H,13,14).
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide?
N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide has a molecular weight of 205.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide is sourced from PubChem (CID 103515760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).