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

C11H21F2NO2 — CID 166470952

IUPACtert-butyl N-(2,2-difluorohexyl)carbamate
SMILESCCCCC(F)(F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21F2NO2/c1-5-6-7-11(12,13)8-14-9(15)16-10(2,3)4/h5-8H2,1-4H3,(H,14,15)
InChIKeyJKPLPDYGCVRKPK-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.34
Rot. Bonds5

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

tert-butyl N-(2,2-difluorohexyl)carbamate (PubChem CID 166470952) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is tert-butyl N-(2,2-difluorohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2-difluorohexyl)carbamate
PubChem CID166470952
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Nametert-butyl N-(2,2-difluorohexyl)carbamate
SMILESCCCCC(F)(F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21F2NO2/c1-5-6-7-11(12,13)8-14-9(15)16-10(2,3)4/h5-8H2,1-4H3,(H,14,15)
InChIKeyJKPLPDYGCVRKPK-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.34
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-difluorohexyl)carbamate?
The IUPAC name of tert-butyl N-(2,2-difluorohexyl)carbamate (CID 166470952) is tert-butyl N-(2,2-difluorohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,2-difluorohexyl)carbamate?
The canonical SMILES for tert-butyl N-(2,2-difluorohexyl)carbamate is CCCCC(F)(F)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2,2-difluorohexyl)carbamate?
The InChIKey is JKPLPDYGCVRKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-5-6-7-11(12,13)8-14-9(15)16-10(2,3)4/h5-8H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(2,2-difluorohexyl)carbamate?
tert-butyl N-(2,2-difluorohexyl)carbamate has a molecular weight of 237.29 g/mol, XLogP of 3.34, 5 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-difluorohexyl)carbamate is sourced from PubChem (CID 166470952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).