2,2,2-trifluoroethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate

C10H12F3NO2S — CID 65245910

IUPAC2,2,2-trifluoroethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate
SMILESCc1cc(CNC(=O)OCC(F)(F)F)sc1C
InChIInChI=1S/C10H12F3NO2S/c1-6-3-8(17-7(6)2)4-14-9(15)16-5-10(11,12)13/h3H,4-5H2,1-2H3,(H,14,15)
InChIKeyPZKPHDGZEVASSD-UHFFFAOYSA-N
MW267.27 g/mol
LogP3.15
Rot. Bonds3

About 2,2,2-trifluoroethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate

2,2,2-trifluoroethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate (PubChem CID 65245910) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate
PubChem CID65245910
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name2,2,2-trifluoroethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate
SMILESCc1cc(CNC(=O)OCC(F)(F)F)sc1C
InChIInChI=1S/C10H12F3NO2S/c1-6-3-8(17-7(6)2)4-14-9(15)16-5-10(11,12)13/h3H,4-5H2,1-2H3,(H,14,15)
InChIKeyPZKPHDGZEVASSD-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate
CID 47082433
2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate
CID 9450078
2,2,2-trifluoroethyl N-[2-(thiophen-2-yl)ethyl]carbamate
CID 45792051
methyl N-[3-[5-[(1R)-1-(cyclopropylamino)ethyl]-2-(trifluoromethyl)thiophen-3-yl]propyl]carbamate
CID 118313470
tert-butyl N-[(4-cyano-5-fluoro-2-thienyl)methyl]carbamate
CID 163226061
Ethyl (thiophen-2-ylmethyl)carbamate
CID 235154
tert-butyl N-[(2-prop-2-enylthiophen-3-yl)methyl]carbamate
CID 72695914
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

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate (CID 65245910) is 2,2,2-trifluoroethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate is Cc1cc(CNC(=O)OCC(F)(F)F)sc1C.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate?
The InChIKey is PZKPHDGZEVASSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-6-3-8(17-7(6)2)4-14-9(15)16-5-10(11,12)13/h3H,4-5H2,1-2H3,(H,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate?
2,2,2-trifluoroethyl N-[(4,5-dimethylthiophen-2-yl)methyl]carbamate has a molecular weight of 267.27 g/mol, XLogP of 3.15, 3 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-[(4,5-dimethylthiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 65245910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).