2,2,2-trifluoroethyl N-(2-cyclopentylsulfanylphenyl)carbamate

C14H16F3NO2S — CID 65173873

IUPAC2,2,2-trifluoroethyl N-(2-cyclopentylsulfanylphenyl)carbamate
SMILESO=C(Nc1ccccc1SC1CCCC1)OCC(F)(F)F
InChIInChI=1S/C14H16F3NO2S/c15-14(16,17)9-20-13(19)18-11-7-3-4-8-12(11)21-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,18,19)
InChIKeyMFPSZPOIPLBLAA-UHFFFAOYSA-N
MW319.35 g/mol
LogP4.83
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(2-cyclopentylsulfanylphenyl)carbamate

2,2,2-trifluoroethyl N-(2-cyclopentylsulfanylphenyl)carbamate (PubChem CID 65173873) has the molecular formula C14H16F3NO2S and a molecular weight of 319.35 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-cyclopentylsulfanylphenyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-cyclopentylsulfanylphenyl)carbamate
PubChem CID65173873
Molecular FormulaC14H16F3NO2S
Molecular Weight319.35 g/mol
Exact Mass319.09
IUPAC Name2,2,2-trifluoroethyl N-(2-cyclopentylsulfanylphenyl)carbamate
SMILESO=C(Nc1ccccc1SC1CCCC1)OCC(F)(F)F
InChIInChI=1S/C14H16F3NO2S/c15-14(16,17)9-20-13(19)18-11-7-3-4-8-12(11)21-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,18,19)
InChIKeyMFPSZPOIPLBLAA-UHFFFAOYSA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 54.83
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-(2-cyclopentylsulfanylphenyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-cyclopentylsulfanylphenyl)carbamate (CID 65173873) is 2,2,2-trifluoroethyl N-(2-cyclopentylsulfanylphenyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-cyclopentylsulfanylphenyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-cyclopentylsulfanylphenyl)carbamate is O=C(Nc1ccccc1SC1CCCC1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-cyclopentylsulfanylphenyl)carbamate?
The InChIKey is MFPSZPOIPLBLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2S/c15-14(16,17)9-20-13(19)18-11-7-3-4-8-12(11)21-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,18,19).
What are the key properties of 2,2,2-trifluoroethyl N-(2-cyclopentylsulfanylphenyl)carbamate?
2,2,2-trifluoroethyl N-(2-cyclopentylsulfanylphenyl)carbamate has a molecular weight of 319.35 g/mol, XLogP of 4.83, 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-(2-cyclopentylsulfanylphenyl)carbamate is sourced from PubChem (CID 65173873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).