N-(2-chloroethyl)-2-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

C11H17ClF3NO — CID 107492015

IUPACN-(2-chloroethyl)-2-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)N(CCCl)CC(F)(F)F
InChIInChI=1S/C11H17ClF3NO/c1-8-3-2-4-9(8)10(17)16(6-5-12)7-11(13,14)15/h8-9H,2-7H2,1H3
InChIKeyIUYLEXCHLUAOJX-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.05
Rot. Bonds4

About N-(2-chloroethyl)-2-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

N-(2-chloroethyl)-2-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (PubChem CID 107492015) has the molecular formula C11H17ClF3NO and a molecular weight of 271.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
PubChem CID107492015
Molecular FormulaC11H17ClF3NO
Molecular Weight271.71 g/mol
Exact Mass271.10
IUPAC NameN-(2-chloroethyl)-2-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)N(CCCl)CC(F)(F)F
InChIInChI=1S/C11H17ClF3NO/c1-8-3-2-4-9(8)10(17)16(6-5-12)7-11(13,14)15/h8-9H,2-7H2,1H3
InChIKeyIUYLEXCHLUAOJX-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.05
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)-2-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(2-chloroethyl)-2-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (CID 107492015) is N-(2-chloroethyl)-2-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-2-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-2-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is CC1CCCC1C(=O)N(CCCl)CC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-2-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The InChIKey is IUYLEXCHLUAOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClF3NO/c1-8-3-2-4-9(8)10(17)16(6-5-12)7-11(13,14)15/h8-9H,2-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-2-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
N-(2-chloroethyl)-2-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide has a molecular weight of 271.71 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 107492015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).