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

C9H13F6NO2 — CID 71672159

IUPAC2-methylpropyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
SMILESCC(C)COC(=O)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO2/c1-5(2)4-18-6(17)16-7(3,8(10,11)12)9(13,14)15/h5H,4H2,1-3H3,(H,16,17)
InChIKeyISGRWYKFJTWDDY-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.25
Rot. Bonds3

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

2-methylpropyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate (PubChem CID 71672159) has the molecular formula C9H13F6NO2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 2-methylpropyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
PubChem CID71672159
Molecular FormulaC9H13F6NO2
Molecular Weight281.20 g/mol
Exact Mass281.09
IUPAC Name2-methylpropyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
SMILESCC(C)COC(=O)NC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6NO2/c1-5(2)4-18-6(17)16-7(3,8(10,11)12)9(13,14)15/h5H,4H2,1-3H3,(H,16,17)
InChIKeyISGRWYKFJTWDDY-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate (CID 71672159) is 2-methylpropyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate is CC(C)COC(=O)NC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-methylpropyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
The InChIKey is ISGRWYKFJTWDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO2/c1-5(2)4-18-6(17)16-7(3,8(10,11)12)9(13,14)15/h5H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-methylpropyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate?
2-methylpropyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate has a molecular weight of 281.20 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate is sourced from PubChem (CID 71672159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).