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

C11H16F5NO — CID 114038212

IUPACN-(3-ethyl-2-methylcyclopentyl)-2,2,3,3,3-pentafluoropropanamide
SMILESCCC1CCC(NC(=O)C(F)(F)C(F)(F)F)C1C
InChIInChI=1S/C11H16F5NO/c1-3-7-4-5-8(6(7)2)17-9(18)10(12,13)11(14,15)16/h6-8H,3-5H2,1-2H3,(H,17,18)
InChIKeyLTPYIYLDUIMFAR-UHFFFAOYSA-N
MW273.25 g/mol
LogP3.12
Rot. Bonds3

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

N-(3-ethyl-2-methylcyclopentyl)-2,2,3,3,3-pentafluoropropanamide (PubChem CID 114038212) has the molecular formula C11H16F5NO and a molecular weight of 273.25 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-2,2,3,3,3-pentafluoropropanamide
PubChem CID114038212
Molecular FormulaC11H16F5NO
Molecular Weight273.25 g/mol
Exact Mass273.12
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-2,2,3,3,3-pentafluoropropanamide
SMILESCCC1CCC(NC(=O)C(F)(F)C(F)(F)F)C1C
InChIInChI=1S/C11H16F5NO/c1-3-7-4-5-8(6(7)2)17-9(18)10(12,13)11(14,15)16/h6-8H,3-5H2,1-2H3,(H,17,18)
InChIKeyLTPYIYLDUIMFAR-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethyl-2-methylcyclopentyl)-2,2,2-trifluoroacetamide
CID 64914468
2-cyano-N-(3-ethyl-2-methylcyclopentyl)-2-methylpropanamide
CID 64921013
N-(3-ethyl-2-methylcyclopentyl)-2,2-difluoroacetamide
CID 103515760
3-(3-ethyl-2-methylcyclopentyl)-1,1-dimethylurea
CID 116656385
N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinyl-2-oxoacetamide
CID 64917052
N-(3-ethyl-2-methylcyclopentyl)-2-sulfanylpropanamide
CID 107031086
2-amino-N-(3-ethyl-2-methylcyclopentyl)-3,3-dimethylbutanamide
CID 77050507
propan-2-yl N-(3-ethyl-2-methylcyclopentyl)carbamate
CID 116656380
2,2-diethyl-4-[(3-ethyl-2-methylcyclopentyl)amino]-4-oxobutanoic acid
CID 64921913
2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylacetamide
CID 64921195
methyl 2-[(3-ethyl-2-methylcyclopentyl)amino]acetate
CID 64920601
ethyl 2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]acetate
CID 64916038

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-2,2,3,3,3-pentafluoropropanamide (CID 114038212) is N-(3-ethyl-2-methylcyclopentyl)-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-2,2,3,3,3-pentafluoropropanamide is CCC1CCC(NC(=O)C(F)(F)C(F)(F)F)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is LTPYIYLDUIMFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F5NO/c1-3-7-4-5-8(6(7)2)17-9(18)10(12,13)11(14,15)16/h6-8H,3-5H2,1-2H3,(H,17,18).
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-2,2,3,3,3-pentafluoropropanamide?
N-(3-ethyl-2-methylcyclopentyl)-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 273.25 g/mol, XLogP of 3.12, 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)-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 114038212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).