N-(2-bromoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C10H15BrF3NO2 — CID 107492500

IUPACN-(2-bromoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(CCBr)CC(F)(F)F
InChIInChI=1S/C10H15BrF3NO2/c1-7-8(2-5-17-7)9(16)15(4-3-11)6-10(12,13)14/h7-8H,2-6H2,1H3
InChIKeyUGWXNTOFQFCMDS-UHFFFAOYSA-N
MW318.13 g/mol
LogP2.20
Rot. Bonds4

About N-(2-bromoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

N-(2-bromoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 107492500) has the molecular formula C10H15BrF3NO2 and a molecular weight of 318.13 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID107492500
Molecular FormulaC10H15BrF3NO2
Molecular Weight318.13 g/mol
Exact Mass317.02
IUPAC NameN-(2-bromoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)N(CCBr)CC(F)(F)F
InChIInChI=1S/C10H15BrF3NO2/c1-7-8(2-5-17-7)9(16)15(4-3-11)6-10(12,13)14/h7-8H,2-6H2,1H3
InChIKeyUGWXNTOFQFCMDS-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 52.20
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)-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 107492500) is N-(2-bromoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CC1OCCC1C(=O)N(CCBr)CC(F)(F)F.
What is the InChIKey of N-(2-bromoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is UGWXNTOFQFCMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrF3NO2/c1-7-8(2-5-17-7)9(16)15(4-3-11)6-10(12,13)14/h7-8H,2-6H2,1H3.
What are the key properties of N-(2-bromoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
N-(2-bromoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 318.13 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 107492500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).