2,2,2-trifluoroethyl N-(2-methyl-2-thiophen-2-ylpropyl)carbamate

C11H14F3NO2S — CID 78963870

IUPAC2,2,2-trifluoroethyl N-(2-methyl-2-thiophen-2-ylpropyl)carbamate
SMILESCC(C)(CNC(=O)OCC(F)(F)F)c1cccs1
InChIInChI=1S/C11H14F3NO2S/c1-10(2,8-4-3-5-18-8)6-15-9(16)17-7-11(12,13)14/h3-5H,6-7H2,1-2H3,(H,15,16)
InChIKeyNSWVMWXJOFTBEC-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.31
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(2-methyl-2-thiophen-2-ylpropyl)carbamate

2,2,2-trifluoroethyl N-(2-methyl-2-thiophen-2-ylpropyl)carbamate (PubChem CID 78963870) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-methyl-2-thiophen-2-ylpropyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-methyl-2-thiophen-2-ylpropyl)carbamate
PubChem CID78963870
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name2,2,2-trifluoroethyl N-(2-methyl-2-thiophen-2-ylpropyl)carbamate
SMILESCC(C)(CNC(=O)OCC(F)(F)F)c1cccs1
InChIInChI=1S/C11H14F3NO2S/c1-10(2,8-4-3-5-18-8)6-15-9(16)17-7-11(12,13)14/h3-5H,6-7H2,1-2H3,(H,15,16)
InChIKeyNSWVMWXJOFTBEC-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate
CID 9450078
2,2,2-trifluoroethyl N-[2-(thiophen-2-yl)ethyl]carbamate
CID 45792051
2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;2,2,2-trifluoroacetaldehyde
CID 158266558
Ethyl (thiophen-2-ylmethyl)carbamate
CID 235154
2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-(thiophen-2-yl)ethyl]carbamate
CID 45792050
2,2,2-trifluoroethyl N-[(5-methylthiophen-2-yl)methyl]carbamate
CID 45835091
2,2,2-trifluoroethyl N-(1-thiophen-2-ylethyl)carbamate
CID 47079438
2,2,2-trifluoroethyl N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]carbamate
CID 51892947
2,2,2-trifluoroethyl N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]carbamate
CID 51892949
2,2,2-trifluoroethyl N-(2-methyl-1-thiophen-2-ylpropyl)carbamate
CID 60705958
2,2,2-trifluoroethyl N-(1-thiophen-2-ylpropyl)carbamate
CID 61068334
2,2,2-trifluoroethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate
CID 61173300

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2-methyl-2-thiophen-2-ylpropyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-methyl-2-thiophen-2-ylpropyl)carbamate (CID 78963870) is 2,2,2-trifluoroethyl N-(2-methyl-2-thiophen-2-ylpropyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-methyl-2-thiophen-2-ylpropyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-methyl-2-thiophen-2-ylpropyl)carbamate is CC(C)(CNC(=O)OCC(F)(F)F)c1cccs1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-methyl-2-thiophen-2-ylpropyl)carbamate?
The InChIKey is NSWVMWXJOFTBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-10(2,8-4-3-5-18-8)6-15-9(16)17-7-11(12,13)14/h3-5H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2,2,2-trifluoroethyl N-(2-methyl-2-thiophen-2-ylpropyl)carbamate?
2,2,2-trifluoroethyl N-(2-methyl-2-thiophen-2-ylpropyl)carbamate has a molecular weight of 281.30 g/mol, XLogP of 3.31, 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-(2-methyl-2-thiophen-2-ylpropyl)carbamate is sourced from PubChem (CID 78963870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).