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

C8H15F2NO2 — CID 138551994

IUPACpropan-2-yl N-(1,1-difluoro-2-methylpropan-2-yl)carbamate
SMILESCC(C)OC(=O)NC(C)(C)C(F)F
InChIInChI=1S/C8H15F2NO2/c1-5(2)13-7(12)11-8(3,4)6(9)10/h5-6H,1-4H3,(H,11,12)
InChIKeyKTVSGJBCCCUVAN-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.16
Rot. Bonds3

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

propan-2-yl N-(1,1-difluoro-2-methylpropan-2-yl)carbamate (PubChem CID 138551994) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is propan-2-yl N-(1,1-difluoro-2-methylpropan-2-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(1,1-difluoro-2-methylpropan-2-yl)carbamate
PubChem CID138551994
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Namepropan-2-yl N-(1,1-difluoro-2-methylpropan-2-yl)carbamate
SMILESCC(C)OC(=O)NC(C)(C)C(F)F
InChIInChI=1S/C8H15F2NO2/c1-5(2)13-7(12)11-8(3,4)6(9)10/h5-6H,1-4H3,(H,11,12)
InChIKeyKTVSGJBCCCUVAN-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.16
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-difluoro-2-methylpropan-2-yl)carbamate?
The IUPAC name of propan-2-yl N-(1,1-difluoro-2-methylpropan-2-yl)carbamate (CID 138551994) is propan-2-yl N-(1,1-difluoro-2-methylpropan-2-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(1,1-difluoro-2-methylpropan-2-yl)carbamate?
The canonical SMILES for propan-2-yl N-(1,1-difluoro-2-methylpropan-2-yl)carbamate is CC(C)OC(=O)NC(C)(C)C(F)F.
What is the InChIKey of propan-2-yl N-(1,1-difluoro-2-methylpropan-2-yl)carbamate?
The InChIKey is KTVSGJBCCCUVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-5(2)13-7(12)11-8(3,4)6(9)10/h5-6H,1-4H3,(H,11,12).
What are the key properties of propan-2-yl N-(1,1-difluoro-2-methylpropan-2-yl)carbamate?
propan-2-yl N-(1,1-difluoro-2-methylpropan-2-yl)carbamate has a molecular weight of 195.21 g/mol, XLogP of 2.16, 3 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-difluoro-2-methylpropan-2-yl)carbamate is sourced from PubChem (CID 138551994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).