8-fluorooct-6-enenitrile

C8H12FN — CID 150088766

IUPAC8-fluorooct-6-enenitrile
SMILESN#CCCCCC=CCF
InChIInChI=1S/C8H12FN/c9-7-5-3-1-2-4-6-8-10/h3,5H,1-2,4,6-7H2
InChIKeyDSTZZRLTRYPDCI-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.60
Rot. Bonds5

About 8-fluorooct-6-enenitrile

8-fluorooct-6-enenitrile (PubChem CID 150088766) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 8-fluorooct-6-enenitrile.

Molecular Properties

Compound Name8-fluorooct-6-enenitrile
PubChem CID150088766
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name8-fluorooct-6-enenitrile
SMILESN#CCCCCC=CCF
InChIInChI=1S/C8H12FN/c9-7-5-3-1-2-4-6-8-10/h3,5H,1-2,4,6-7H2
InChIKeyDSTZZRLTRYPDCI-UHFFFAOYSA-N
XLogP2.60
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-dodec-8-enenitrile
CID 101282237
octadec-6-enenitrile
CID 54098739
(E)-dec-7-enenitrile
CID 88850471
(E)-tridec-11-enenitrile
CID 101282243
(6E,9E,12E)-tetradeca-6,9,12-trienenitrile
CID 101282565
(7E,10E)-tetradeca-7,10,13-trienenitrile
CID 101282574
trideca-4,10-dienenitrile
CID 131746236
(E)-dec-4-enenitrile
CID 88850530
henicosanedinitrile
CID 87345062
(8E,10E)-12-oxododeca-8,10-dienenitrile
CID 87790760
tetradeca-4,13-dienenitrile
CID 76548823
(E)-6-iodohex-5-enenitrile
CID 10966062

Frequently Asked Questions

What is the IUPAC name of 8-fluorooct-6-enenitrile?
The IUPAC name of 8-fluorooct-6-enenitrile (CID 150088766) is 8-fluorooct-6-enenitrile.
What is the SMILES notation for 8-fluorooct-6-enenitrile?
The canonical SMILES for 8-fluorooct-6-enenitrile is N#CCCCCC=CCF.
What is the InChIKey of 8-fluorooct-6-enenitrile?
The InChIKey is DSTZZRLTRYPDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c9-7-5-3-1-2-4-6-8-10/h3,5H,1-2,4,6-7H2.
What are the key properties of 8-fluorooct-6-enenitrile?
8-fluorooct-6-enenitrile has a molecular weight of 141.19 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluorooct-6-enenitrile is sourced from PubChem (CID 150088766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).