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

C10H17F3N2O2 — CID 65173333

IUPAC2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate
SMILESCCN1CCCC1CNC(=O)OCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-2-15-5-3-4-8(15)6-14-9(16)17-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyZCCICUAQLFBLPC-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.76
Rot. Bonds4

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

2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate (PubChem CID 65173333) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate
PubChem CID65173333
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate
SMILESCCN1CCCC1CNC(=O)OCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-2-15-5-3-4-8(15)6-14-9(16)17-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyZCCICUAQLFBLPC-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide
CID 79797670
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119829033
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpentanamide
CID 61173867
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54962176
2-(2-chlorophenyl)ethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate
CID 6735969
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 7320188
methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate
CID 43180071
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylcyclohexane-1-carboxamide
CID 62781980

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate (CID 65173333) is 2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate is CCN1CCCC1CNC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate?
The InChIKey is ZCCICUAQLFBLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-2-15-5-3-4-8(15)6-14-9(16)17-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16).
What are the key properties of 2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate?
2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate has a molecular weight of 254.25 g/mol, XLogP of 1.76, 4 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-ethylpyrrolidin-2-yl)methyl]carbamate is sourced from PubChem (CID 65173333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).