propan-2-yl N-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate

C8H14F3NO2 — CID 138552399

IUPACpropan-2-yl N-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate
SMILESCC(C)OC(=O)NC(C)(C)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(2)14-6(13)12-7(3,4)8(9,10)11/h5H,1-4H3,(H,12,13)
InChIKeyKZTZWAUXAPLVHO-UHFFFAOYSA-N
MW213.20 g/mol
LogP2.46
Rot. Bonds2

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

propan-2-yl N-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate (PubChem CID 138552399) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is propan-2-yl N-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate
PubChem CID138552399
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Namepropan-2-yl N-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate
SMILESCC(C)OC(=O)NC(C)(C)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(2)14-6(13)12-7(3,4)8(9,10)11/h5H,1-4H3,(H,12,13)
InChIKeyKZTZWAUXAPLVHO-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 52.46
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-trifluoro-2-methylpropan-2-yl)carbamate?
The IUPAC name of propan-2-yl N-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate (CID 138552399) is propan-2-yl N-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate?
The canonical SMILES for propan-2-yl N-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate is CC(C)OC(=O)NC(C)(C)C(F)(F)F.
What is the InChIKey of propan-2-yl N-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate?
The InChIKey is KZTZWAUXAPLVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-5(2)14-6(13)12-7(3,4)8(9,10)11/h5H,1-4H3,(H,12,13).
What are the key properties of propan-2-yl N-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate?
propan-2-yl N-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate has a molecular weight of 213.20 g/mol, XLogP of 2.46, 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-trifluoro-2-methylpropan-2-yl)carbamate is sourced from PubChem (CID 138552399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).