2,2,2-trifluoroethyl N-[(3R)-1,1-dioxothiolan-3-yl]carbamate

C7H10F3NO4S — CID 51892940

IUPAC2,2,2-trifluoroethyl N-[(3R)-1,1-dioxothiolan-3-yl]carbamate
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)OCC(F)(F)F
InChIInChI=1S/C7H10F3NO4S/c8-7(9,10)4-15-6(12)11-5-1-2-16(13,14)3-5/h5H,1-4H2,(H,11,12)/t5-/m1/s1
InChIKeyWAMSKHFFAJDMDJ-RXMQYKEDSA-N
MW261.22 g/mol
LogP0.46
Rot. Bonds2

About 2,2,2-trifluoroethyl N-[(3R)-1,1-dioxothiolan-3-yl]carbamate

2,2,2-trifluoroethyl N-[(3R)-1,1-dioxothiolan-3-yl]carbamate (PubChem CID 51892940) has the molecular formula C7H10F3NO4S and a molecular weight of 261.22 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(3R)-1,1-dioxothiolan-3-yl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(3R)-1,1-dioxothiolan-3-yl]carbamate
PubChem CID51892940
Molecular FormulaC7H10F3NO4S
Molecular Weight261.22 g/mol
Exact Mass261.03
IUPAC Name2,2,2-trifluoroethyl N-[(3R)-1,1-dioxothiolan-3-yl]carbamate
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)OCC(F)(F)F
InChIInChI=1S/C7H10F3NO4S/c8-7(9,10)4-15-6(12)11-5-1-2-16(13,14)3-5/h5H,1-4H2,(H,11,12)/t5-/m1/s1
InChIKeyWAMSKHFFAJDMDJ-RXMQYKEDSA-N
XLogP0.46
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(3R)-1,1-dioxothiolan-3-yl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(3R)-1,1-dioxothiolan-3-yl]carbamate (CID 51892940) is 2,2,2-trifluoroethyl N-[(3R)-1,1-dioxothiolan-3-yl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(3R)-1,1-dioxothiolan-3-yl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(3R)-1,1-dioxothiolan-3-yl]carbamate is O=C(N[C@@H]1CCS(=O)(=O)C1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(3R)-1,1-dioxothiolan-3-yl]carbamate?
The InChIKey is WAMSKHFFAJDMDJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10F3NO4S/c8-7(9,10)4-15-6(12)11-5-1-2-16(13,14)3-5/h5H,1-4H2,(H,11,12)/t5-/m1/s1.
What are the key properties of 2,2,2-trifluoroethyl N-[(3R)-1,1-dioxothiolan-3-yl]carbamate?
2,2,2-trifluoroethyl N-[(3R)-1,1-dioxothiolan-3-yl]carbamate has a molecular weight of 261.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(3R)-1,1-dioxothiolan-3-yl]carbamate is sourced from PubChem (CID 51892940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).