N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide

C9H14ClF2NO2 — CID 107491488

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide
SMILESO=C(C1CCOC1)N(CCCl)CC(F)F
InChIInChI=1S/C9H14ClF2NO2/c10-2-3-13(5-8(11)12)9(14)7-1-4-15-6-7/h7-8H,1-6H2
InChIKeyIMRNQNDRIWGBEF-UHFFFAOYSA-N
MW241.66 g/mol
LogP1.36
Rot. Bonds5

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide (PubChem CID 107491488) has the molecular formula C9H14ClF2NO2 and a molecular weight of 241.66 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide
PubChem CID107491488
Molecular FormulaC9H14ClF2NO2
Molecular Weight241.66 g/mol
Exact Mass241.07
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide
SMILESO=C(C1CCOC1)N(CCCl)CC(F)F
InChIInChI=1S/C9H14ClF2NO2/c10-2-3-13(5-8(11)12)9(14)7-1-4-15-6-7/h7-8H,1-6H2
InChIKeyIMRNQNDRIWGBEF-UHFFFAOYSA-N
XLogP1.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.66
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)oxolane-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide (CID 107491488) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide is O=C(C1CCOC1)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide?
The InChIKey is IMRNQNDRIWGBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClF2NO2/c10-2-3-13(5-8(11)12)9(14)7-1-4-15-6-7/h7-8H,1-6H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)oxolane-3-carboxamide has a molecular weight of 241.66 g/mol, XLogP of 1.36, 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)oxolane-3-carboxamide is sourced from PubChem (CID 107491488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).