2,2,2-trifluoroethyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate

C10H17F3N2O2 — CID 63373626

IUPAC2,2,2-trifluoroethyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
SMILESCN1CCC(CN(C)C(=O)OCC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-14-4-3-8(5-14)6-15(2)9(16)17-7-10(11,12)13/h8H,3-7H2,1-2H3
InChIKeySMFZVGPRKANKGI-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.57
Rot. Bonds3

About 2,2,2-trifluoroethyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate

2,2,2-trifluoroethyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate (PubChem CID 63373626) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
PubChem CID63373626
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2,2,2-trifluoroethyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
SMILESCN1CCC(CN(C)C(=O)OCC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-14-4-3-8(5-14)6-15(2)9(16)17-7-10(11,12)13/h8H,3-7H2,1-2H3
InChIKeySMFZVGPRKANKGI-UHFFFAOYSA-N
XLogP1.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.57
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-[(1-methylpyrrolidin-3-yl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate (CID 63373626) is 2,2,2-trifluoroethyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate is CN1CCC(CN(C)C(=O)OCC(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoroethyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate?
The InChIKey is SMFZVGPRKANKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-14-4-3-8(5-14)6-15(2)9(16)17-7-10(11,12)13/h8H,3-7H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate?
2,2,2-trifluoroethyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate has a molecular weight of 254.25 g/mol, XLogP of 1.57, 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-[(1-methylpyrrolidin-3-yl)methyl]carbamate is sourced from PubChem (CID 63373626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).