2,2,2-trifluoroethyl N-(thiolan-3-yl)carbamate

C7H10F3NO2S — CID 103713727

IUPAC2,2,2-trifluoroethyl N-(thiolan-3-yl)carbamate
SMILESO=C(NC1CCSC1)OCC(F)(F)F
InChIInChI=1S/C7H10F3NO2S/c8-7(9,10)4-13-6(12)11-5-1-2-14-3-5/h5H,1-4H2,(H,11,12)
InChIKeyDYVGTTUCFZFRJL-UHFFFAOYSA-N
MW229.22 g/mol
LogP1.78
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(thiolan-3-yl)carbamate

2,2,2-trifluoroethyl N-(thiolan-3-yl)carbamate (PubChem CID 103713727) has the molecular formula C7H10F3NO2S and a molecular weight of 229.22 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(thiolan-3-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(thiolan-3-yl)carbamate
PubChem CID103713727
Molecular FormulaC7H10F3NO2S
Molecular Weight229.22 g/mol
Exact Mass229.04
IUPAC Name2,2,2-trifluoroethyl N-(thiolan-3-yl)carbamate
SMILESO=C(NC1CCSC1)OCC(F)(F)F
InChIInChI=1S/C7H10F3NO2S/c8-7(9,10)4-13-6(12)11-5-1-2-14-3-5/h5H,1-4H2,(H,11,12)
InChIKeyDYVGTTUCFZFRJL-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methylidene-[3-(2,2,2-trifluoroethoxycarbonylamino)propyl]sulfanium
CID 165052296
2-(2,2,2-trifluoroethylsulfanyl)ethyl N-ethylcarbamate
CID 174747047
3-Amino-4-ethoxycarbonylaminotetrahydrothiophene
CID 45119393
8-Amino-4-ethoxycarbonylaminotetrahydro-thiophene
CID 129799637
2,2,2-trifluoroethyl N-(1,1-dioxo-1lambda6-thiolan-3-yl)carbamate
CID 45792044
2,2,2-trifluoroethyl N-[(3R)-1,1-dioxothiolan-3-yl]carbamate
CID 51892940
2,2,2-trifluoroethyl N-[(3S)-1,1-dioxothiolan-3-yl]carbamate
CID 51892941
2,2,2-trifluoroethyl N-(3-methylsulfanylpropyl)carbamate
CID 64466582
2,2,2-trifluoroethyl N-(thiolan-2-ylmethyl)carbamate
CID 80395299
2,2,2-trifluoroethyl N-(2-methylsulfanylcyclopentyl)carbamate
CID 103713716
2,2,2-trifluoroethyl N-(3-methylsulfanylcyclopentyl)carbamate
CID 103713722
2,2,2-trifluoroethyl N-(3-ethylsulfanylcyclopentyl)carbamate
CID 103713746

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(thiolan-3-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(thiolan-3-yl)carbamate (CID 103713727) is 2,2,2-trifluoroethyl N-(thiolan-3-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(thiolan-3-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(thiolan-3-yl)carbamate is O=C(NC1CCSC1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(thiolan-3-yl)carbamate?
The InChIKey is DYVGTTUCFZFRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2S/c8-7(9,10)4-13-6(12)11-5-1-2-14-3-5/h5H,1-4H2,(H,11,12).
What are the key properties of 2,2,2-trifluoroethyl N-(thiolan-3-yl)carbamate?
2,2,2-trifluoroethyl N-(thiolan-3-yl)carbamate has a molecular weight of 229.22 g/mol, XLogP of 1.78, 2 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-(thiolan-3-yl)carbamate is sourced from PubChem (CID 103713727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).