N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentane-1-carboxamide

C11H18ClF2NO — CID 107490931

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)N(CCCl)CC(F)F
InChIInChI=1S/C11H18ClF2NO/c1-8-3-2-4-9(8)11(16)15(6-5-12)7-10(13)14/h8-10H,2-7H2,1H3
InChIKeyIXAPPRRJSQPXMZ-UHFFFAOYSA-N
MW253.72 g/mol
LogP2.76
Rot. Bonds5

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentane-1-carboxamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentane-1-carboxamide (PubChem CID 107490931) has the molecular formula C11H18ClF2NO and a molecular weight of 253.72 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentane-1-carboxamide
PubChem CID107490931
Molecular FormulaC11H18ClF2NO
Molecular Weight253.72 g/mol
Exact Mass253.10
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)N(CCCl)CC(F)F
InChIInChI=1S/C11H18ClF2NO/c1-8-3-2-4-9(8)11(16)15(6-5-12)7-10(13)14/h8-10H,2-7H2,1H3
InChIKeyIXAPPRRJSQPXMZ-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.72
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentane-1-carboxamide (CID 107490931) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentane-1-carboxamide?
The InChIKey is IXAPPRRJSQPXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClF2NO/c1-8-3-2-4-9(8)11(16)15(6-5-12)7-10(13)14/h8-10H,2-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentane-1-carboxamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentane-1-carboxamide has a molecular weight of 253.72 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107490931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).