2,2,2-trifluoroethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate

C10H12F3NO2S — CID 61173300

IUPAC2,2,2-trifluoroethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate
SMILESCC(Cc1ccsc1)NC(=O)OCC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-7(4-8-2-3-17-5-8)14-9(15)16-6-10(11,12)13/h2-3,5,7H,4,6H2,1H3,(H,14,15)
InChIKeyCXYPNHJJXKSVBK-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.97
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate

2,2,2-trifluoroethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate (PubChem CID 61173300) 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-3-ylpropan-2-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate
PubChem CID61173300
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name2,2,2-trifluoroethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate
SMILESCC(Cc1ccsc1)NC(=O)OCC(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c1-7(4-8-2-3-17-5-8)14-9(15)16-6-10(11,12)13/h2-3,5,7H,4,6H2,1H3,(H,14,15)
InChIKeyCXYPNHJJXKSVBK-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate (CID 61173300) is 2,2,2-trifluoroethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate is CC(Cc1ccsc1)NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate?
The InChIKey is CXYPNHJJXKSVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-7(4-8-2-3-17-5-8)14-9(15)16-6-10(11,12)13/h2-3,5,7H,4,6H2,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate?
2,2,2-trifluoroethyl N-(1-thiophen-3-ylpropan-2-yl)carbamate has a molecular weight of 267.27 g/mol, XLogP of 2.97, 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-3-ylpropan-2-yl)carbamate is sourced from PubChem (CID 61173300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).