N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide

C10H16ClF2NO2 — CID 107491228

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)N(CCCl)CC(F)F)CO1
InChIInChI=1S/C10H16ClF2NO2/c1-7-4-8(6-16-7)10(15)14(3-2-11)5-9(12)13/h7-9H,2-6H2,1H3
InChIKeyXOGBOYAMXPTECJ-UHFFFAOYSA-N
MW255.69 g/mol
LogP1.74
Rot. Bonds5

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide (PubChem CID 107491228) has the molecular formula C10H16ClF2NO2 and a molecular weight of 255.69 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide
PubChem CID107491228
Molecular FormulaC10H16ClF2NO2
Molecular Weight255.69 g/mol
Exact Mass255.08
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)N(CCCl)CC(F)F)CO1
InChIInChI=1S/C10H16ClF2NO2/c1-7-4-8(6-16-7)10(15)14(3-2-11)5-9(12)13/h7-9H,2-6H2,1H3
InChIKeyXOGBOYAMXPTECJ-UHFFFAOYSA-N
XLogP1.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.69
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-ethyloxolane-3-carboxamide
CID 105728640
N-(2-chloroethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 105728643
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-methyloxolane-3-carboxamide
CID 107491123
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2-(oxolan-2-yl)acetamide
CID 107491300
N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide
CID 107491488
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide
CID 107491785
N-(2-chloroethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 107492119
N-(2-chloroethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 107492172
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 107492314
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 113965744
N-(2-chloroethyl)-2,4,5-trimethyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 113965960
N-(2-chloro-3-methoxypropyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
CID 65159289

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide (CID 107491228) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide is CC1CC(C(=O)N(CCCl)CC(F)F)CO1.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide?
The InChIKey is XOGBOYAMXPTECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF2NO2/c1-7-4-8(6-16-7)10(15)14(3-2-11)5-9(12)13/h7-9H,2-6H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide has a molecular weight of 255.69 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 107491228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).