1,1,2,2,3,3,4,4-octafluoropentyl N-ethenylcarbamate

C8H7F8NO2 — CID 87085833

IUPAC1,1,2,2,3,3,4,4-octafluoropentyl N-ethenylcarbamate
SMILESC=CNC(=O)OC(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C8H7F8NO2/c1-3-17-4(18)19-8(15,16)7(13,14)6(11,12)5(2,9)10/h3H,1H2,2H3,(H,17,18)
InChIKeyOKBOMWVSQVVWAU-UHFFFAOYSA-N
MW301.13 g/mol
LogP3.37
Rot. Bonds5

About 1,1,2,2,3,3,4,4-octafluoropentyl N-ethenylcarbamate

1,1,2,2,3,3,4,4-octafluoropentyl N-ethenylcarbamate (PubChem CID 87085833) has the molecular formula C8H7F8NO2 and a molecular weight of 301.13 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoropentyl N-ethenylcarbamate.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoropentyl N-ethenylcarbamate
PubChem CID87085833
Molecular FormulaC8H7F8NO2
Molecular Weight301.13 g/mol
Exact Mass301.03
IUPAC Name1,1,2,2,3,3,4,4-octafluoropentyl N-ethenylcarbamate
SMILESC=CNC(=O)OC(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C8H7F8NO2/c1-3-17-4(18)19-8(15,16)7(13,14)6(11,12)5(2,9)10/h3H,1H2,2H3,(H,17,18)
InChIKeyOKBOMWVSQVVWAU-UHFFFAOYSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-aminoacetic acid;tert-butyl N-ethenylcarbamate
CID 87790423
1,1,2,2,3,3,4,4-octafluoro-1-(1,2,2-trifluoroethenoxy)pentane
CID 88551399
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluorotetradecyl prop-2-enoate
CID 20977299
(2,2,3,3,4,4,5,5-octafluoro-1-prop-2-enoyloxyhexyl) prop-2-enoate
CID 54347670
1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
CID 87506219
1,1,1,2-tetrafluoropropan-2-yl prop-2-enoate
CID 139659236
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate
CID 151064296
2,2,3,3,4,4,5,5,6,6-decafluoro-N-methyl-6-(1,2,2-trifluoroethenoxy)hexanamide
CID 175997151
(1,1,2,2,3,5,5,5-octafluoro-3-methylpentyl) prop-2-enoate
CID 175460309
4-O-(1,1,2,2,3,3,4,4-octafluoropentyl) 1-O-[tris(trimethylsilyloxy)silylmethyl] but-2-enedioate
CID 54530861
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-henicosafluorododecyl prop-2-enoate
CID 87290750
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl prop-2-enoate
CID 18679053

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoropentyl N-ethenylcarbamate?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoropentyl N-ethenylcarbamate (CID 87085833) is 1,1,2,2,3,3,4,4-octafluoropentyl N-ethenylcarbamate.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoropentyl N-ethenylcarbamate?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoropentyl N-ethenylcarbamate is C=CNC(=O)OC(F)(F)C(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoropentyl N-ethenylcarbamate?
The InChIKey is OKBOMWVSQVVWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F8NO2/c1-3-17-4(18)19-8(15,16)7(13,14)6(11,12)5(2,9)10/h3H,1H2,2H3,(H,17,18).
What are the key properties of 1,1,2,2,3,3,4,4-octafluoropentyl N-ethenylcarbamate?
1,1,2,2,3,3,4,4-octafluoropentyl N-ethenylcarbamate has a molecular weight of 301.13 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoropentyl N-ethenylcarbamate is sourced from PubChem (CID 87085833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).