(Z)-4-fluoro-2-pentyldec-3-enenitrile

C15H26FN — CID 87964704

IUPAC(Z)-4-fluoro-2-pentyldec-3-enenitrile
SMILESCCCCCC/C(F)=C/C(C#N)CCCCC
InChIInChI=1S/C15H26FN/c1-3-5-7-9-11-15(16)12-14(13-17)10-8-6-4-2/h12,14H,3-11H2,1-2H3/b15-12-
InChIKeyGLMUPVHEKRGODQ-QINSGFPZSA-N
MW239.38 g/mol
LogP5.53
Rot. Bonds10

About (Z)-4-fluoro-2-pentyldec-3-enenitrile

(Z)-4-fluoro-2-pentyldec-3-enenitrile (PubChem CID 87964704) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is (Z)-4-fluoro-2-pentyldec-3-enenitrile.

Molecular Properties

Compound Name(Z)-4-fluoro-2-pentyldec-3-enenitrile
PubChem CID87964704
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name(Z)-4-fluoro-2-pentyldec-3-enenitrile
SMILESCCCCCC/C(F)=C/C(C#N)CCCCC
InChIInChI=1S/C15H26FN/c1-3-5-7-9-11-15(16)12-14(13-17)10-8-6-4-2/h12,14H,3-11H2,1-2H3/b15-12-
InChIKeyGLMUPVHEKRGODQ-QINSGFPZSA-N
XLogP5.53
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.38
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-fluoro-2-pentyldec-3-enenitrile?
The IUPAC name of (Z)-4-fluoro-2-pentyldec-3-enenitrile (CID 87964704) is (Z)-4-fluoro-2-pentyldec-3-enenitrile.
What is the SMILES notation for (Z)-4-fluoro-2-pentyldec-3-enenitrile?
The canonical SMILES for (Z)-4-fluoro-2-pentyldec-3-enenitrile is CCCCCC/C(F)=C/C(C#N)CCCCC.
What is the InChIKey of (Z)-4-fluoro-2-pentyldec-3-enenitrile?
The InChIKey is GLMUPVHEKRGODQ-QINSGFPZSA-N. The full InChI is InChI=1S/C15H26FN/c1-3-5-7-9-11-15(16)12-14(13-17)10-8-6-4-2/h12,14H,3-11H2,1-2H3/b15-12-.
What are the key properties of (Z)-4-fluoro-2-pentyldec-3-enenitrile?
(Z)-4-fluoro-2-pentyldec-3-enenitrile has a molecular weight of 239.38 g/mol, XLogP of 5.53, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-fluoro-2-pentyldec-3-enenitrile is sourced from PubChem (CID 87964704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).