2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate

C7H10F3NO2 — CID 62068097

IUPAC2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate
SMILESCN(C(=O)OCC(F)(F)F)C1CC1
InChIInChI=1S/C7H10F3NO2/c1-11(5-2-3-5)6(12)13-4-7(8,9)10/h5H,2-4H2,1H3
InChIKeyCQMZSVKGCGSYOY-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.78
Rot. Bonds2

About 2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate

2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate (PubChem CID 62068097) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate
PubChem CID62068097
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate
SMILESCN(C(=O)OCC(F)(F)F)C1CC1
InChIInChI=1S/C7H10F3NO2/c1-11(5-2-3-5)6(12)13-4-7(8,9)10/h5H,2-4H2,1H3
InChIKeyCQMZSVKGCGSYOY-UHFFFAOYSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate (CID 62068097) is 2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate is CN(C(=O)OCC(F)(F)F)C1CC1.
What is the InChIKey of 2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate?
The InChIKey is CQMZSVKGCGSYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-11(5-2-3-5)6(12)13-4-7(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate?
2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate has a molecular weight of 197.16 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate is sourced from PubChem (CID 62068097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).