2,2,2-trifluoroethyl N-(1-thiophen-2-ylpropyl)carbamate

C10H12F3NO2S — CID 61068334

IUPAC2,2,2-trifluoroethyl N-(1-thiophen-2-ylpropyl)carbamate
SMILESCCC(NC(=O)OCC(F)(F)F)c1cccs1
InChIInChI=1S/C10H12F3NO2S/c1-2-7(8-4-3-5-17-8)14-9(15)16-6-10(11,12)13/h3-5,7H,2,6H2,1H3,(H,14,15)
InChIKeyYTPVWRSSWSEJSN-UHFFFAOYSA-N
MW267.27 g/mol
LogP3.49
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(1-thiophen-2-ylpropyl)carbamate

2,2,2-trifluoroethyl N-(1-thiophen-2-ylpropyl)carbamate (PubChem CID 61068334) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(1-thiophen-2-ylpropyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(1-thiophen-2-ylpropyl)carbamate
PubChem CID61068334
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name2,2,2-trifluoroethyl N-(1-thiophen-2-ylpropyl)carbamate
SMILESCCC(NC(=O)OCC(F)(F)F)c1cccs1
InChIInChI=1S/C10H12F3NO2S/c1-2-7(8-4-3-5-17-8)14-9(15)16-6-10(11,12)13/h3-5,7H,2,6H2,1H3,(H,14,15)
InChIKeyYTPVWRSSWSEJSN-UHFFFAOYSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(thiophen-2-ylmethyl)carbamate
CID 4935536
Ethyl 3-(thiophen-2-yl)piperazine-1-carboxylate
CID 2771741
Carbamic acid, 2-thenyl-, 2-hydroxyethyl ester
CID 57422
2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate
CID 47082433
methyl N-(3-oxo-1-thiophen-2-ylbutyl)carbamate
CID 16759096
tert-butyl N-[(3R)-3-amino-3-(thiophen-2-yl)propyl]-N-methylcarbamate
CID 155970858
tert-butyl N-(2,2-difluoro-3-oxo-1-thiophen-2-ylbutyl)carbamate
CID 134861948
N-[(2S)-1,1,1-trifluoro-3-thiophen-2-ylpropan-2-yl]acetamide
CID 134967095
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
N-(1-thiophen-2-ylethyl)formamide
CID 18681499
2,2,2-Trifluoroethyl thien-2-ylmethylcarbamate
CID 9450078
ethyl N-[3-oxo-3-[[(1S)-1-thiophen-2-ylethyl]amino]propyl]carbamate
CID 38402878

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(1-thiophen-2-ylpropyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(1-thiophen-2-ylpropyl)carbamate (CID 61068334) is 2,2,2-trifluoroethyl N-(1-thiophen-2-ylpropyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(1-thiophen-2-ylpropyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(1-thiophen-2-ylpropyl)carbamate is CCC(NC(=O)OCC(F)(F)F)c1cccs1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(1-thiophen-2-ylpropyl)carbamate?
The InChIKey is YTPVWRSSWSEJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-2-7(8-4-3-5-17-8)14-9(15)16-6-10(11,12)13/h3-5,7H,2,6H2,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-(1-thiophen-2-ylpropyl)carbamate?
2,2,2-trifluoroethyl N-(1-thiophen-2-ylpropyl)carbamate has a molecular weight of 267.27 g/mol, XLogP of 3.49, 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-thiophen-2-ylpropyl)carbamate is sourced from PubChem (CID 61068334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).