2-(2,3,4,5,6-pentafluorohexoxy)butanenitrile

C10H14F5NO — CID 175318838

IUPAC2-(2,3,4,5,6-pentafluorohexoxy)butanenitrile
SMILESCCC(C#N)OCC(F)C(F)C(F)C(F)CF
InChIInChI=1S/C10H14F5NO/c1-2-6(4-16)17-5-8(13)10(15)9(14)7(12)3-11/h6-10H,2-3,5H2,1H3
InChIKeyAIALLKJYJZGNIE-UHFFFAOYSA-N
MW259.22 g/mol
LogP2.63
Rot. Bonds8

About 2-(2,3,4,5,6-pentafluorohexoxy)butanenitrile

2-(2,3,4,5,6-pentafluorohexoxy)butanenitrile (PubChem CID 175318838) has the molecular formula C10H14F5NO and a molecular weight of 259.22 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorohexoxy)butanenitrile.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorohexoxy)butanenitrile
PubChem CID175318838
Molecular FormulaC10H14F5NO
Molecular Weight259.22 g/mol
Exact Mass259.10
IUPAC Name2-(2,3,4,5,6-pentafluorohexoxy)butanenitrile
SMILESCCC(C#N)OCC(F)C(F)C(F)C(F)CF
InChIInChI=1S/C10H14F5NO/c1-2-6(4-16)17-5-8(13)10(15)9(14)7(12)3-11/h6-10H,2-3,5H2,1H3
InChIKeyAIALLKJYJZGNIE-UHFFFAOYSA-N
XLogP2.63
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorohexoxy)butanenitrile?
The IUPAC name of 2-(2,3,4,5,6-pentafluorohexoxy)butanenitrile (CID 175318838) is 2-(2,3,4,5,6-pentafluorohexoxy)butanenitrile.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorohexoxy)butanenitrile?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorohexoxy)butanenitrile is CCC(C#N)OCC(F)C(F)C(F)C(F)CF.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorohexoxy)butanenitrile?
The InChIKey is AIALLKJYJZGNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5NO/c1-2-6(4-16)17-5-8(13)10(15)9(14)7(12)3-11/h6-10H,2-3,5H2,1H3.
What are the key properties of 2-(2,3,4,5,6-pentafluorohexoxy)butanenitrile?
2-(2,3,4,5,6-pentafluorohexoxy)butanenitrile has a molecular weight of 259.22 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorohexoxy)butanenitrile is sourced from PubChem (CID 175318838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).