1,2,2,3,3,4,5,5-octafluoropentyl N-ethenylcarbamate

C8H7F8NO2 — CID 87085834

IUPAC1,2,2,3,3,4,5,5-octafluoropentyl N-ethenylcarbamate
SMILESC=CNC(=O)OC(F)C(F)(F)C(F)(F)C(F)C(F)F
InChIInChI=1S/C8H7F8NO2/c1-2-17-6(18)19-5(12)8(15,16)7(13,14)3(9)4(10)11/h2-5H,1H2,(H,17,18)
InChIKeyIONCGJDHUNUEAZ-UHFFFAOYSA-N
MW301.13 g/mol
LogP3.03
Rot. Bonds6

About 1,2,2,3,3,4,5,5-octafluoropentyl N-ethenylcarbamate

1,2,2,3,3,4,5,5-octafluoropentyl N-ethenylcarbamate (PubChem CID 87085834) has the molecular formula C8H7F8NO2 and a molecular weight of 301.13 g/mol. Its IUPAC name is 1,2,2,3,3,4,5,5-octafluoropentyl N-ethenylcarbamate.

Molecular Properties

Compound Name1,2,2,3,3,4,5,5-octafluoropentyl N-ethenylcarbamate
PubChem CID87085834
Molecular FormulaC8H7F8NO2
Molecular Weight301.13 g/mol
Exact Mass301.03
IUPAC Name1,2,2,3,3,4,5,5-octafluoropentyl N-ethenylcarbamate
SMILESC=CNC(=O)OC(F)C(F)(F)C(F)(F)C(F)C(F)F
InChIInChI=1S/C8H7F8NO2/c1-2-17-6(18)19-5(12)8(15,16)7(13,14)3(9)4(10)11/h2-5H,1H2,(H,17,18)
InChIKeyIONCGJDHUNUEAZ-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 53.03
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

1,2,2,3,3,4,5,6,7,8,9,9-dodecafluorononyl prop-2-enoate
CID 135341747
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11-icosafluoroundecyl carbonochloridate
CID 88826729
1,2,2,3,4,4-hexafluorobutyl prop-2-enoate;silane
CID 175090999
4-O-(1,2,2,3,3,4,5,5-octafluoropentyl) 1-O-[1-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate
CID 173346817
(4-methyl-3-oxopent-4-en-2-yl) N-ethenylcarbamate
CID 87670919
1,1,2,2,3,3,4,4-octafluoropentyl N-ethenylcarbamate
CID 87085833
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononyl prop-2-enoate
CID 22465163
1,2,2,3,4,5,6,6-octafluorohexyl prop-2-enoate
CID 87346066
3-methylbutyl N-ethenylcarbamate
CID 146374933
1,1,1,3,3-pentafluoropropan-2-yl prop-2-enoate
CID 87389803
1,1,2,3,3-pentafluoropropyl hydrogen carbonate
CID 88584967
propyl N-ethenylcarbamate;silane
CID 174610345

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,5,5-octafluoropentyl N-ethenylcarbamate?
The IUPAC name of 1,2,2,3,3,4,5,5-octafluoropentyl N-ethenylcarbamate (CID 87085834) is 1,2,2,3,3,4,5,5-octafluoropentyl N-ethenylcarbamate.
What is the SMILES notation for 1,2,2,3,3,4,5,5-octafluoropentyl N-ethenylcarbamate?
The canonical SMILES for 1,2,2,3,3,4,5,5-octafluoropentyl N-ethenylcarbamate is C=CNC(=O)OC(F)C(F)(F)C(F)(F)C(F)C(F)F.
What is the InChIKey of 1,2,2,3,3,4,5,5-octafluoropentyl N-ethenylcarbamate?
The InChIKey is IONCGJDHUNUEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F8NO2/c1-2-17-6(18)19-5(12)8(15,16)7(13,14)3(9)4(10)11/h2-5H,1H2,(H,17,18).
What are the key properties of 1,2,2,3,3,4,5,5-octafluoropentyl N-ethenylcarbamate?
1,2,2,3,3,4,5,5-octafluoropentyl N-ethenylcarbamate has a molecular weight of 301.13 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,5,5-octafluoropentyl N-ethenylcarbamate is sourced from PubChem (CID 87085834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).