2,2,2-trifluoroethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate

C6H4F9NO2 — CID 71672142

IUPAC2,2,2-trifluoroethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
SMILESO=C(NC(C(F)(F)F)C(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H4F9NO2/c7-4(8,9)1-18-3(17)16-2(5(10,11)12)6(13,14)15/h2H,1H2,(H,16,17)
InChIKeyKGMNRLPNUJYTPM-UHFFFAOYSA-N
MW293.09 g/mol
LogP2.77
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate

2,2,2-trifluoroethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate (PubChem CID 71672142) has the molecular formula C6H4F9NO2 and a molecular weight of 293.09 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
PubChem CID71672142
Molecular FormulaC6H4F9NO2
Molecular Weight293.09 g/mol
Exact Mass293.01
IUPAC Name2,2,2-trifluoroethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
SMILESO=C(NC(C(F)(F)F)C(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H4F9NO2/c7-4(8,9)1-18-3(17)16-2(5(10,11)12)6(13,14)15/h2H,1H2,(H,16,17)
InChIKeyKGMNRLPNUJYTPM-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.09
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate (CID 71672142) is 2,2,2-trifluoroethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is O=C(NC(C(F)(F)F)C(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The InChIKey is KGMNRLPNUJYTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F9NO2/c7-4(8,9)1-18-3(17)16-2(5(10,11)12)6(13,14)15/h2H,1H2,(H,16,17).
What are the key properties of 2,2,2-trifluoroethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
2,2,2-trifluoroethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate has a molecular weight of 293.09 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is sourced from PubChem (CID 71672142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).