3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propanenitrile

C8H7F8NO — CID 131854633

IUPAC3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propanenitrile
SMILESN#CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H7F8NO/c9-5(10)7(13,14)8(15,16)6(11,12)4-18-3-1-2-17/h5H,1,3-4H2
InChIKeyULFXSZIGGKPAMD-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.09
Rot. Bonds7

About 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propanenitrile

3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propanenitrile (PubChem CID 131854633) has the molecular formula C8H7F8NO and a molecular weight of 285.13 g/mol. Its IUPAC name is 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propanenitrile.

Molecular Properties

Compound Name3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propanenitrile
PubChem CID131854633
Molecular FormulaC8H7F8NO
Molecular Weight285.13 g/mol
Exact Mass285.04
IUPAC Name3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propanenitrile
SMILESN#CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H7F8NO/c9-5(10)7(13,14)8(15,16)6(11,12)4-18-3-1-2-17/h5H,1,3-4H2
InChIKeyULFXSZIGGKPAMD-UHFFFAOYSA-N
XLogP3.09
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.09
H-Bond Donors ≤ 50
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

3-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)propanenitrile
CID 98460783
2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
CID 134263886
3-(2,2,3-trifluoropropoxy)propanenitrile
CID 177253506
2,2,3,3,4,4,5,5-octafluoropentyl hypoiodite
CID 148632122
3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile
CID 13446505
3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propane-1,2-diol
CID 14909231
trichloro-[3-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)propyl]silane
CID 142755459
3-(4,4,4-trifluorobutoxy)propanenitrile
CID 82788617
1,3-bis(2,2,3,3,4,4,5,5,6,6-decafluorohexoxy)propan-2-ol
CID 172565018
6-(2-cyanoethoxy)hexanenitrile
CID 142730413
1,1,2,2,3,3,4,4-octafluoro-5-(1,2,2-trifluoroethenoxy)pentane
CID 10018385
CID 58700662
CID 58700662

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propanenitrile?
The IUPAC name of 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propanenitrile (CID 131854633) is 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propanenitrile.
What is the SMILES notation for 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propanenitrile?
The canonical SMILES for 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propanenitrile is N#CCCOCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propanenitrile?
The InChIKey is ULFXSZIGGKPAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F8NO/c9-5(10)7(13,14)8(15,16)6(11,12)4-18-3-1-2-17/h5H,1,3-4H2.
What are the key properties of 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propanenitrile?
3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propanenitrile has a molecular weight of 285.13 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propanenitrile is sourced from PubChem (CID 131854633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).