2,2,2-trifluoroethyl N-ethyl-N-(thiophen-2-ylmethyl)carbamate

C10H12F3NO2S — CID 60705883

IUPAC2,2,2-trifluoroethyl N-ethyl-N-(thiophen-2-ylmethyl)carbamate
SMILESCCN(Cc1cccs1)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-2-14(6-8-4-3-5-17-8)9(15)16-7-10(11,12)13/h3-5H,2,6-7H2,1H3
InChIKeyIGVGWOCHFTXONK-UHFFFAOYSA-N
MW267.27 g/mol
LogP3.27
Rot. Bonds4

About 2,2,2-trifluoroethyl N-ethyl-N-(thiophen-2-ylmethyl)carbamate

2,2,2-trifluoroethyl N-ethyl-N-(thiophen-2-ylmethyl)carbamate (PubChem CID 60705883) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-ethyl-N-(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-ethyl-N-(thiophen-2-ylmethyl)carbamate
PubChem CID60705883
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name2,2,2-trifluoroethyl N-ethyl-N-(thiophen-2-ylmethyl)carbamate
SMILESCCN(Cc1cccs1)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-2-14(6-8-4-3-5-17-8)9(15)16-7-10(11,12)13/h3-5H,2,6-7H2,1H3
InChIKeyIGVGWOCHFTXONK-UHFFFAOYSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-(2-thienylmethyl)-1-piperazinecarboxylate
CID 783744
Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester
CID 3065860
Ethyl4-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxylate
CID 6456281
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
5-Methylidene-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one
CID 164676148
2,2,2-trifluoroethyl N-[(thiophen-2-yl)methyl]carbamate
CID 9450078
2,2,2-trifluoroethyl N-[2-(thiophen-2-yl)ethyl]carbamate
CID 45792051
3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 68416075
2,2,2-trifluoro-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 79036747
(4-Fluorothiophen-2-yl)methyl-methylcarbamic acid
CID 146570668

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-ethyl-N-(thiophen-2-ylmethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-ethyl-N-(thiophen-2-ylmethyl)carbamate (CID 60705883) is 2,2,2-trifluoroethyl N-ethyl-N-(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-ethyl-N-(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-ethyl-N-(thiophen-2-ylmethyl)carbamate is CCN(Cc1cccs1)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-ethyl-N-(thiophen-2-ylmethyl)carbamate?
The InChIKey is IGVGWOCHFTXONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-2-14(6-8-4-3-5-17-8)9(15)16-7-10(11,12)13/h3-5H,2,6-7H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl N-ethyl-N-(thiophen-2-ylmethyl)carbamate?
2,2,2-trifluoroethyl N-ethyl-N-(thiophen-2-ylmethyl)carbamate has a molecular weight of 267.27 g/mol, XLogP of 3.27, 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-ethyl-N-(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 60705883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).