2,2,2-trifluoroethyl N-[cyclopentyl(thiophen-2-yl)methyl]carbamate

C13H16F3NO2S — CID 61067998

IUPAC2,2,2-trifluoroethyl N-[cyclopentyl(thiophen-2-yl)methyl]carbamate
SMILESO=C(NC(c1cccs1)C1CCCC1)OCC(F)(F)F
InChIInChI=1S/C13H16F3NO2S/c14-13(15,16)8-19-12(18)17-11(9-4-1-2-5-9)10-6-3-7-20-10/h3,6-7,9,11H,1-2,4-5,8H2,(H,17,18)
InChIKeyHMJWNUOGYPCRGV-UHFFFAOYSA-N
MW307.34 g/mol
LogP4.27
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[cyclopentyl(thiophen-2-yl)methyl]carbamate

2,2,2-trifluoroethyl N-[cyclopentyl(thiophen-2-yl)methyl]carbamate (PubChem CID 61067998) has the molecular formula C13H16F3NO2S and a molecular weight of 307.34 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[cyclopentyl(thiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[cyclopentyl(thiophen-2-yl)methyl]carbamate
PubChem CID61067998
Molecular FormulaC13H16F3NO2S
Molecular Weight307.34 g/mol
Exact Mass307.09
IUPAC Name2,2,2-trifluoroethyl N-[cyclopentyl(thiophen-2-yl)methyl]carbamate
SMILESO=C(NC(c1cccs1)C1CCCC1)OCC(F)(F)F
InChIInChI=1S/C13H16F3NO2S/c14-13(15,16)8-19-12(18)17-11(9-4-1-2-5-9)10-6-3-7-20-10/h3,6-7,9,11H,1-2,4-5,8H2,(H,17,18)
InChIKeyHMJWNUOGYPCRGV-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroethyl N-[cyclopentyl(thiophen-2-yl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[cyclopentyl(thiophen-2-yl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[cyclopentyl(thiophen-2-yl)methyl]carbamate (CID 61067998) is 2,2,2-trifluoroethyl N-[cyclopentyl(thiophen-2-yl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[cyclopentyl(thiophen-2-yl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[cyclopentyl(thiophen-2-yl)methyl]carbamate is O=C(NC(c1cccs1)C1CCCC1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[cyclopentyl(thiophen-2-yl)methyl]carbamate?
The InChIKey is HMJWNUOGYPCRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2S/c14-13(15,16)8-19-12(18)17-11(9-4-1-2-5-9)10-6-3-7-20-10/h3,6-7,9,11H,1-2,4-5,8H2,(H,17,18).
What are the key properties of 2,2,2-trifluoroethyl N-[cyclopentyl(thiophen-2-yl)methyl]carbamate?
2,2,2-trifluoroethyl N-[cyclopentyl(thiophen-2-yl)methyl]carbamate has a molecular weight of 307.34 g/mol, XLogP of 4.27, 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-[cyclopentyl(thiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 61067998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).