2,2,2-trifluoroethyl N-(2-thiophen-3-ylethyl)carbamate

C9H10F3NO2S — CID 65173247

IUPAC2,2,2-trifluoroethyl N-(2-thiophen-3-ylethyl)carbamate
SMILESO=C(NCCc1ccsc1)OCC(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c10-9(11,12)6-15-8(14)13-3-1-7-2-4-16-5-7/h2,4-5H,1,3,6H2,(H,13,14)
InChIKeyNDFXTRSMJKVUSR-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.58
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(2-thiophen-3-ylethyl)carbamate

2,2,2-trifluoroethyl N-(2-thiophen-3-ylethyl)carbamate (PubChem CID 65173247) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-thiophen-3-ylethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-thiophen-3-ylethyl)carbamate
PubChem CID65173247
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name2,2,2-trifluoroethyl N-(2-thiophen-3-ylethyl)carbamate
SMILESO=C(NCCc1ccsc1)OCC(F)(F)F
InChIInChI=1S/C9H10F3NO2S/c10-9(11,12)6-15-8(14)13-3-1-7-2-4-16-5-7/h2,4-5H,1,3,6H2,(H,13,14)
InChIKeyNDFXTRSMJKVUSR-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroethyl N-(2-thiophen-3-ylethyl)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
N1-(2-(thiophen-3-yl)ethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49752403
Ethyl (2-(thiophen-3-yl)ethyl)carbamate
CID 49670241
2,2,2-trifluoroethyl N-(thiophen-2-ylmethyl)carbamate
CID 9450078
2,2,2-trifluoroethyl N-[2-(thiophen-2-yl)ethyl]carbamate
CID 45792051
3,3,3-trifluoro-N-(2-thiophen-3-ylethyl)propanamide
CID 45812506
N-(2-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54961662
2,2,2-trifluoroethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate
CID 61173300
2-thiophen-3-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 61490643
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521
2,2,2-trifluoroethyl N-(1-thiophen-2-ylpropan-2-yl)carbamate
CID 63222193
2,2,2-trifluoroethyl N-(1-thiophen-3-ylethyl)carbamate
CID 65173850

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2-thiophen-3-ylethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-thiophen-3-ylethyl)carbamate (CID 65173247) is 2,2,2-trifluoroethyl N-(2-thiophen-3-ylethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-thiophen-3-ylethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-thiophen-3-ylethyl)carbamate is O=C(NCCc1ccsc1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-thiophen-3-ylethyl)carbamate?
The InChIKey is NDFXTRSMJKVUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c10-9(11,12)6-15-8(14)13-3-1-7-2-4-16-5-7/h2,4-5H,1,3,6H2,(H,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-(2-thiophen-3-ylethyl)carbamate?
2,2,2-trifluoroethyl N-(2-thiophen-3-ylethyl)carbamate has a molecular weight of 253.24 g/mol, XLogP of 2.58, 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-thiophen-3-ylethyl)carbamate is sourced from PubChem (CID 65173247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).