2,2,3,3,4,4,4-heptafluorobutyl N-nonylcarbamate

C14H22F7NO2 — CID 88898193

IUPAC2,2,3,3,4,4,4-heptafluorobutyl N-nonylcarbamate
SMILESCCCCCCCCCNC(=O)OCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H22F7NO2/c1-2-3-4-5-6-7-8-9-22-11(23)24-10-12(15,16)13(17,18)14(19,20)21/h2-10H2,1H3,(H,22,23)
InChIKeyGWTVUIAGAYIOFA-UHFFFAOYSA-N
MW369.32 g/mol
LogP5.30
Rot. Bonds11

About 2,2,3,3,4,4,4-heptafluorobutyl N-nonylcarbamate

2,2,3,3,4,4,4-heptafluorobutyl N-nonylcarbamate (PubChem CID 88898193) has the molecular formula C14H22F7NO2 and a molecular weight of 369.32 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluorobutyl N-nonylcarbamate.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluorobutyl N-nonylcarbamate
PubChem CID88898193
Molecular FormulaC14H22F7NO2
Molecular Weight369.32 g/mol
Exact Mass369.15
IUPAC Name2,2,3,3,4,4,4-heptafluorobutyl N-nonylcarbamate
SMILESCCCCCCCCCNC(=O)OCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H22F7NO2/c1-2-3-4-5-6-7-8-9-22-11(23)24-10-12(15,16)13(17,18)14(19,20)21/h2-10H2,1H3,(H,22,23)
InChIKeyGWTVUIAGAYIOFA-UHFFFAOYSA-N
XLogP5.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.32
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,4-heptafluorobutyl N-butylcarbamate
CID 88880024
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl N-hexylcarbamate
CID 141429901
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
2,2,3,4,4,4-hexafluorobutyl N-hexylcarbamate
CID 88898261
2,2,3,3,4,4,4-heptafluorobutyl octadecanoate
CID 91691488
azane;octyl N-octylcarbamate
CID 175531380
4-O-(2,2,3,3,4,4,4-heptafluorobutyl) 1-O-octadecyl butanedioate
CID 91740883
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
N-dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 4072472

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluorobutyl N-nonylcarbamate?
The IUPAC name of 2,2,3,3,4,4,4-heptafluorobutyl N-nonylcarbamate (CID 88898193) is 2,2,3,3,4,4,4-heptafluorobutyl N-nonylcarbamate.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluorobutyl N-nonylcarbamate?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluorobutyl N-nonylcarbamate is CCCCCCCCCNC(=O)OCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluorobutyl N-nonylcarbamate?
The InChIKey is GWTVUIAGAYIOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F7NO2/c1-2-3-4-5-6-7-8-9-22-11(23)24-10-12(15,16)13(17,18)14(19,20)21/h2-10H2,1H3,(H,22,23).
What are the key properties of 2,2,3,3,4,4,4-heptafluorobutyl N-nonylcarbamate?
2,2,3,3,4,4,4-heptafluorobutyl N-nonylcarbamate has a molecular weight of 369.32 g/mol, XLogP of 5.30, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluorobutyl N-nonylcarbamate is sourced from PubChem (CID 88898193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).