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

C10H16BrF2NO2 — CID 107491785

IUPACN-(2-bromoethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)N(CCBr)CC(F)F)CO1
InChIInChI=1S/C10H16BrF2NO2/c1-7-4-8(6-16-7)10(15)14(3-2-11)5-9(12)13/h7-9H,2-6H2,1H3
InChIKeyFQOMMTNBDWIQSL-UHFFFAOYSA-N
MW300.14 g/mol
LogP1.90
Rot. Bonds5

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

N-(2-bromoethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide (PubChem CID 107491785) has the molecular formula C10H16BrF2NO2 and a molecular weight of 300.14 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide
PubChem CID107491785
Molecular FormulaC10H16BrF2NO2
Molecular Weight300.14 g/mol
Exact Mass299.03
IUPAC NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)N(CCBr)CC(F)F)CO1
InChIInChI=1S/C10H16BrF2NO2/c1-7-4-8(6-16-7)10(15)14(3-2-11)5-9(12)13/h7-9H,2-6H2,1H3
InChIKeyFQOMMTNBDWIQSL-UHFFFAOYSA-N
XLogP1.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 51.90
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-bromoethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide (CID 107491785) is N-(2-bromoethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide is CC1CC(C(=O)N(CCBr)CC(F)F)CO1.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide?
The InChIKey is FQOMMTNBDWIQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrF2NO2/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-bromoethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide?
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide has a molecular weight of 300.14 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2,2-difluoroethyl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 107491785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).