propan-2-yl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate

C8H11F6NO2 — CID 46499456

IUPACpropan-2-yl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
SMILESCC(C)OC(=O)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO2/c1-4(2)17-5(16)15-6(3,7(9,10)11)8(12,13)14/h4H,1-3H3,(H,15,16)
InChIKeyKJFWSEVGHLGJJG-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.00
Rot. Bonds2

About propan-2-yl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate

propan-2-yl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate (PubChem CID 46499456) has the molecular formula C8H11F6NO2 and a molecular weight of 267.17 g/mol. Its IUPAC name is propan-2-yl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
PubChem CID46499456
Molecular FormulaC8H11F6NO2
Molecular Weight267.17 g/mol
Exact Mass267.07
IUPAC Namepropan-2-yl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
SMILESCC(C)OC(=O)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO2/c1-4(2)17-5(16)15-6(3,7(9,10)11)8(12,13)14/h4H,1-3H3,(H,15,16)
InChIKeyKJFWSEVGHLGJJG-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
The IUPAC name of propan-2-yl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate (CID 46499456) is propan-2-yl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
The canonical SMILES for propan-2-yl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate is CC(C)OC(=O)NC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of propan-2-yl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
The InChIKey is KJFWSEVGHLGJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO2/c1-4(2)17-5(16)15-6(3,7(9,10)11)8(12,13)14/h4H,1-3H3,(H,15,16).
What are the key properties of propan-2-yl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
propan-2-yl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate has a molecular weight of 267.17 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate is sourced from PubChem (CID 46499456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).