2,2,2-trifluoroethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate

C9H14F3NO3 — CID 61238690

IUPAC2,2,2-trifluoroethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate
SMILESCN(CC1CCCO1)C(=O)OCC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-13(5-7-3-2-4-15-7)8(14)16-6-9(10,11)12/h7H,2-6H2,1H3
InChIKeyXWOPSFIRDJITES-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.80
Rot. Bonds3

About 2,2,2-trifluoroethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate

2,2,2-trifluoroethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate (PubChem CID 61238690) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate
PubChem CID61238690
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2,2,2-trifluoroethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate
SMILESCN(CC1CCCO1)C(=O)OCC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-13(5-7-3-2-4-15-7)8(14)16-6-9(10,11)12/h7H,2-6H2,1H3
InChIKeyXWOPSFIRDJITES-UHFFFAOYSA-N
XLogP1.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate (CID 61238690) is 2,2,2-trifluoroethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate is CN(CC1CCCO1)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate?
The InChIKey is XWOPSFIRDJITES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-13(5-7-3-2-4-15-7)8(14)16-6-9(10,11)12/h7H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate?
2,2,2-trifluoroethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate has a molecular weight of 241.21 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-methyl-N-(oxolan-2-ylmethyl)carbamate is sourced from PubChem (CID 61238690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).