2-(2,3,4,5,8-pentafluorooctoxy)hexanenitrile

C14H22F5NO — CID 175318333

IUPAC2-(2,3,4,5,8-pentafluorooctoxy)hexanenitrile
SMILESCCCCC(C#N)OCC(F)C(F)C(F)C(F)CCCF
InChIInChI=1S/C14H22F5NO/c1-2-3-5-10(8-20)21-9-12(17)14(19)13(18)11(16)6-4-7-15/h10-14H,2-7,9H2,1H3
InChIKeyPPCILDYULSTNRZ-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.19
Rot. Bonds12

About 2-(2,3,4,5,8-pentafluorooctoxy)hexanenitrile

2-(2,3,4,5,8-pentafluorooctoxy)hexanenitrile (PubChem CID 175318333) has the molecular formula C14H22F5NO and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(2,3,4,5,8-pentafluorooctoxy)hexanenitrile.

Molecular Properties

Compound Name2-(2,3,4,5,8-pentafluorooctoxy)hexanenitrile
PubChem CID175318333
Molecular FormulaC14H22F5NO
Molecular Weight315.33 g/mol
Exact Mass315.16
IUPAC Name2-(2,3,4,5,8-pentafluorooctoxy)hexanenitrile
SMILESCCCCC(C#N)OCC(F)C(F)C(F)C(F)CCCF
InChIInChI=1S/C14H22F5NO/c1-2-3-5-10(8-20)21-9-12(17)14(19)13(18)11(16)6-4-7-15/h10-14H,2-7,9H2,1H3
InChIKeyPPCILDYULSTNRZ-UHFFFAOYSA-N
XLogP4.19
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxyhexanenitrile
CID 13225791
(3S)-1,3-difluoroheptane
CID 148515317
4-fluoro-3-methyloctane
CID 89416555
2,3,4,5,6,7,10-heptafluorodecane-1,1-diol
CID 166745165
barium(2+);1,1,2,3,4,5,8-heptafluorooctane;hydride
CID 173311743
1,1,1,2,3,4,5,6,7,8-decafluorododecane
CID 162611334
2,4-difluorobutanenitrile
CID 175233038
2-(2-ethoxyethoxy)octanenitrile
CID 121008530
5-fluoro-6-methyldecane
CID 123598559
(2R,3S,4R)-2,3,4-trifluorononane
CID 102212838
2-(2-hydroxyethoxy)pentanenitrile
CID 103375829
2-(methoxymethoxy)pentanenitrile
CID 87931791

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,8-pentafluorooctoxy)hexanenitrile?
The IUPAC name of 2-(2,3,4,5,8-pentafluorooctoxy)hexanenitrile (CID 175318333) is 2-(2,3,4,5,8-pentafluorooctoxy)hexanenitrile.
What is the SMILES notation for 2-(2,3,4,5,8-pentafluorooctoxy)hexanenitrile?
The canonical SMILES for 2-(2,3,4,5,8-pentafluorooctoxy)hexanenitrile is CCCCC(C#N)OCC(F)C(F)C(F)C(F)CCCF.
What is the InChIKey of 2-(2,3,4,5,8-pentafluorooctoxy)hexanenitrile?
The InChIKey is PPCILDYULSTNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F5NO/c1-2-3-5-10(8-20)21-9-12(17)14(19)13(18)11(16)6-4-7-15/h10-14H,2-7,9H2,1H3.
What are the key properties of 2-(2,3,4,5,8-pentafluorooctoxy)hexanenitrile?
2-(2,3,4,5,8-pentafluorooctoxy)hexanenitrile has a molecular weight of 315.33 g/mol, XLogP of 4.19, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,8-pentafluorooctoxy)hexanenitrile is sourced from PubChem (CID 175318333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).