2,2,2-trifluoroethyl N-[[1-(2-methoxyethyl)cyclopropyl]methyl]carbamate

C10H16F3NO3 — CID 103793594

IUPAC2,2,2-trifluoroethyl N-[[1-(2-methoxyethyl)cyclopropyl]methyl]carbamate
SMILESCOCCC1(CNC(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO3/c1-16-5-4-9(2-3-9)6-14-8(15)17-7-10(11,12)13/h2-7H2,1H3,(H,14,15)
InChIKeyUEJPROSLDQKARZ-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.09
Rot. Bonds6

About 2,2,2-trifluoroethyl N-[[1-(2-methoxyethyl)cyclopropyl]methyl]carbamate

2,2,2-trifluoroethyl N-[[1-(2-methoxyethyl)cyclopropyl]methyl]carbamate (PubChem CID 103793594) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[[1-(2-methoxyethyl)cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[[1-(2-methoxyethyl)cyclopropyl]methyl]carbamate
PubChem CID103793594
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2,2,2-trifluoroethyl N-[[1-(2-methoxyethyl)cyclopropyl]methyl]carbamate
SMILESCOCCC1(CNC(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO3/c1-16-5-4-9(2-3-9)6-14-8(15)17-7-10(11,12)13/h2-7H2,1H3,(H,14,15)
InChIKeyUEJPROSLDQKARZ-UHFFFAOYSA-N
XLogP2.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[[1-(2-methoxyethyl)cyclopropyl]methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[[1-(2-methoxyethyl)cyclopropyl]methyl]carbamate (CID 103793594) is 2,2,2-trifluoroethyl N-[[1-(2-methoxyethyl)cyclopropyl]methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[[1-(2-methoxyethyl)cyclopropyl]methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[[1-(2-methoxyethyl)cyclopropyl]methyl]carbamate is COCCC1(CNC(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[[1-(2-methoxyethyl)cyclopropyl]methyl]carbamate?
The InChIKey is UEJPROSLDQKARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-16-5-4-9(2-3-9)6-14-8(15)17-7-10(11,12)13/h2-7H2,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-[[1-(2-methoxyethyl)cyclopropyl]methyl]carbamate?
2,2,2-trifluoroethyl N-[[1-(2-methoxyethyl)cyclopropyl]methyl]carbamate has a molecular weight of 255.24 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[[1-(2-methoxyethyl)cyclopropyl]methyl]carbamate is sourced from PubChem (CID 103793594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).