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

C11H14F3NO3S — CID 60705726

IUPAC2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)carbamate
SMILESCOCCN(Cc1cccs1)C(=O)OCC(F)(F)F
InChIInChI=1S/C11H14F3NO3S/c1-17-5-4-15(7-9-3-2-6-19-9)10(16)18-8-11(12,13)14/h2-3,6H,4-5,7-8H2,1H3
InChIKeyJVCNDQSIOXGXAK-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.90
Rot. Bonds6

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

2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)carbamate (PubChem CID 60705726) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)carbamate
PubChem CID60705726
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC Name2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)carbamate
SMILESCOCCN(Cc1cccs1)C(=O)OCC(F)(F)F
InChIInChI=1S/C11H14F3NO3S/c1-17-5-4-15(7-9-3-2-6-19-9)10(16)18-8-11(12,13)14/h2-3,6H,4-5,7-8H2,1H3
InChIKeyJVCNDQSIOXGXAK-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
2-methoxy-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 51074235
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
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-Methoxyethyl)(prop-2-yn-1-yl)[(thiophen-2-yl)methyl]amine
CID 47014077
2-[2-Methoxyethyl(thiophen-2-ylmethyl)amino]acetonitrile
CID 47034633
N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 51081592
3-[2-[methyl-[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-oxazolidin-2-one
CID 95158751
2,2-difluoro-N,N-bis(2-methoxyethyl)-2-thiophen-2-ylacetamide
CID 10946296

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)carbamate (CID 60705726) is 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)carbamate is COCCN(Cc1cccs1)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)carbamate?
The InChIKey is JVCNDQSIOXGXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c1-17-5-4-15(7-9-3-2-6-19-9)10(16)18-8-11(12,13)14/h2-3,6H,4-5,7-8H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)carbamate?
2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)carbamate has a molecular weight of 297.30 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 60705726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).