1,1,1-trifluoropropan-2-yl sulfamate

C3H6F3NO3S — CID 152618164

IUPAC1,1,1-trifluoropropan-2-yl sulfamate
SMILESCC(OS(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C3H6F3NO3S/c1-2(3(4,5)6)10-11(7,8)9/h2H,1H3,(H2,7,8,9)
InChIKeyZAYNHQIKSPOFJB-UHFFFAOYSA-N
MW193.15 g/mol
LogP0.16
Rot. Bonds2

About 1,1,1-trifluoropropan-2-yl sulfamate

1,1,1-trifluoropropan-2-yl sulfamate (PubChem CID 152618164) has the molecular formula C3H6F3NO3S and a molecular weight of 193.15 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-yl sulfamate.

Molecular Properties

Compound Name1,1,1-trifluoropropan-2-yl sulfamate
PubChem CID152618164
Molecular FormulaC3H6F3NO3S
Molecular Weight193.15 g/mol
Exact Mass193.00
IUPAC Name1,1,1-trifluoropropan-2-yl sulfamate
SMILESCC(OS(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C3H6F3NO3S/c1-2(3(4,5)6)10-11(7,8)9/h2H,1H3,(H2,7,8,9)
InChIKeyZAYNHQIKSPOFJB-UHFFFAOYSA-N
XLogP0.16
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropan-2-yl sulfamate?
The IUPAC name of 1,1,1-trifluoropropan-2-yl sulfamate (CID 152618164) is 1,1,1-trifluoropropan-2-yl sulfamate.
What is the SMILES notation for 1,1,1-trifluoropropan-2-yl sulfamate?
The canonical SMILES for 1,1,1-trifluoropropan-2-yl sulfamate is CC(OS(N)(=O)=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropropan-2-yl sulfamate?
The InChIKey is ZAYNHQIKSPOFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO3S/c1-2(3(4,5)6)10-11(7,8)9/h2H,1H3,(H2,7,8,9).
What are the key properties of 1,1,1-trifluoropropan-2-yl sulfamate?
1,1,1-trifluoropropan-2-yl sulfamate has a molecular weight of 193.15 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropropan-2-yl sulfamate is sourced from PubChem (CID 152618164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).