2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate

C11H17F6NO2 — CID 88898261

IUPAC2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate
SMILESCCCCCCNC(=O)OCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C11H17F6NO2/c1-2-3-4-5-6-18-9(19)20-7-10(13,14)8(12)11(15,16)17/h8H,2-7H2,1H3,(H,18,19)
InChIKeyRZJRIAWIXWFSCK-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.83
Rot. Bonds8

About 2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate

2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate (PubChem CID 88898261) has the molecular formula C11H17F6NO2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate.

Molecular Properties

Compound Name2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate
PubChem CID88898261
Molecular FormulaC11H17F6NO2
Molecular Weight309.25 g/mol
Exact Mass309.12
IUPAC Name2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate
SMILESCCCCCCNC(=O)OCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C11H17F6NO2/c1-2-3-4-5-6-18-9(19)20-7-10(13,14)8(12)11(15,16)17/h8H,2-7H2,1H3,(H,18,19)
InChIKeyRZJRIAWIXWFSCK-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,4,4,4-heptafluorobutyl N-nonylcarbamate
CID 88898193
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl N-hexylcarbamate
CID 141429901
butyl 2,2,3,4,4,4-hexafluorobutyl carbonate
CID 112758192
1-O-(2,2,3,4,4,4-hexafluorobutyl) 3-O-pentadecyl 2,2-diethylpropanedioate
CID 91741855
undecyl N-octylcarbamate
CID 168918698
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
[2-(dodecylcarbamoyloxymethyl)-2-methylbut-3-enyl] N-dodecylcarbamate
CID 156510660
1-O-heptyl 4-O-(2,2,3,4,4,4-hexafluorobutyl) benzene-1,4-dicarboxylate
CID 91742160
2-fluoroethyl N-hexylcarbamate
CID 87287131

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate?
The IUPAC name of 2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate (CID 88898261) is 2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate.
What is the SMILES notation for 2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate?
The canonical SMILES for 2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate is CCCCCCNC(=O)OCC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate?
The InChIKey is RZJRIAWIXWFSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO2/c1-2-3-4-5-6-18-9(19)20-7-10(13,14)8(12)11(15,16)17/h8H,2-7H2,1H3,(H,18,19).
What are the key properties of 2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate?
2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate has a molecular weight of 309.25 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate is sourced from PubChem (CID 88898261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).