2,2,2-trifluoroethyl N-propan-2-yl-N-(thiophen-2-ylmethyl)carbamate

C11H14F3NO2S — CID 61481391

IUPAC2,2,2-trifluoroethyl N-propan-2-yl-N-(thiophen-2-ylmethyl)carbamate
SMILESCC(C)N(Cc1cccs1)C(=O)OCC(F)(F)F
InChIInChI=1S/C11H14F3NO2S/c1-8(2)15(6-9-4-3-5-18-9)10(16)17-7-11(12,13)14/h3-5,8H,6-7H2,1-2H3
InChIKeyUITIOYDJPGZBLN-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.66
Rot. Bonds4

About 2,2,2-trifluoroethyl N-propan-2-yl-N-(thiophen-2-ylmethyl)carbamate

2,2,2-trifluoroethyl N-propan-2-yl-N-(thiophen-2-ylmethyl)carbamate (PubChem CID 61481391) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-propan-2-yl-N-(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-propan-2-yl-N-(thiophen-2-ylmethyl)carbamate
PubChem CID61481391
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name2,2,2-trifluoroethyl N-propan-2-yl-N-(thiophen-2-ylmethyl)carbamate
SMILESCC(C)N(Cc1cccs1)C(=O)OCC(F)(F)F
InChIInChI=1S/C11H14F3NO2S/c1-8(2)15(6-9-4-3-5-18-9)10(16)17-7-11(12,13)14/h3-5,8H,6-7H2,1-2H3
InChIKeyUITIOYDJPGZBLN-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroethyl N-propan-2-yl-N-(thiophen-2-ylmethyl)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

Ethyl 4-(2-thienylmethyl)-1-piperazinecarboxylate
CID 783744
Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester
CID 3065860
2-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 51074235
N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 60698565
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
tert-butyl 6-thiophen-2-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10706828
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264
2,2,2-Trifluoroethyl thien-2-ylmethylcarbamate
CID 9450078
3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one
CID 95158751
2,2,2aTrifluoroaNamethylaNa[1a(thiophena2ayl)propana2ayl]acetamide
CID 79487463
(4-Fluorothiophen-2-yl)methyl-methylcarbamic acid
CID 146570668
tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate
CID 146570715

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-propan-2-yl-N-(thiophen-2-ylmethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-propan-2-yl-N-(thiophen-2-ylmethyl)carbamate (CID 61481391) is 2,2,2-trifluoroethyl N-propan-2-yl-N-(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-propan-2-yl-N-(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-propan-2-yl-N-(thiophen-2-ylmethyl)carbamate is CC(C)N(Cc1cccs1)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-propan-2-yl-N-(thiophen-2-ylmethyl)carbamate?
The InChIKey is UITIOYDJPGZBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-8(2)15(6-9-4-3-5-18-9)10(16)17-7-11(12,13)14/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2,2,2-trifluoroethyl N-propan-2-yl-N-(thiophen-2-ylmethyl)carbamate?
2,2,2-trifluoroethyl N-propan-2-yl-N-(thiophen-2-ylmethyl)carbamate has a molecular weight of 281.30 g/mol, XLogP of 3.66, 4 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-propan-2-yl-N-(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 61481391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).