tert-butyl N-(2,2-difluoropropyl)carbamate

C8H15F2NO2 — CID 88951450

IUPACtert-butyl N-(2,2-difluoropropyl)carbamate
SMILESCC(F)(F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C8H15F2NO2/c1-7(2,3)13-6(12)11-5-8(4,9)10/h5H2,1-4H3,(H,11,12)
InChIKeyDVPVSHHVFMONSE-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.17
Rot. Bonds2

About tert-butyl N-(2,2-difluoropropyl)carbamate

tert-butyl N-(2,2-difluoropropyl)carbamate (PubChem CID 88951450) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is tert-butyl N-(2,2-difluoropropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2-difluoropropyl)carbamate
PubChem CID88951450
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Nametert-butyl N-(2,2-difluoropropyl)carbamate
SMILESCC(F)(F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C8H15F2NO2/c1-7(2,3)13-6(12)11-5-8(4,9)10/h5H2,1-4H3,(H,11,12)
InChIKeyDVPVSHHVFMONSE-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2-difluoropropyl)carbamate?
The IUPAC name of tert-butyl N-(2,2-difluoropropyl)carbamate (CID 88951450) is tert-butyl N-(2,2-difluoropropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,2-difluoropropyl)carbamate?
The canonical SMILES for tert-butyl N-(2,2-difluoropropyl)carbamate is CC(F)(F)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2,2-difluoropropyl)carbamate?
The InChIKey is DVPVSHHVFMONSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-7(2,3)13-6(12)11-5-8(4,9)10/h5H2,1-4H3,(H,11,12).
What are the key properties of tert-butyl N-(2,2-difluoropropyl)carbamate?
tert-butyl N-(2,2-difluoropropyl)carbamate has a molecular weight of 195.21 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2-difluoropropyl)carbamate is sourced from PubChem (CID 88951450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).