(3Z)-3-fluoro-2-methylnona-1,3-diene

C10H17F — CID 102212097

IUPAC(3Z)-3-fluoro-2-methylnona-1,3-diene
SMILESC=C(C)/C(F)=C/CCCCC
InChIInChI=1S/C10H17F/c1-4-5-6-7-8-10(11)9(2)3/h8H,2,4-7H2,1,3H3/b10-8-
InChIKeyOHEXPAQHLVXUKU-NTMALXAHSA-N
MW156.24 g/mol
LogP4.00
Rot. Bonds5

About (3Z)-3-fluoro-2-methylnona-1,3-diene

(3Z)-3-fluoro-2-methylnona-1,3-diene (PubChem CID 102212097) has the molecular formula C10H17F and a molecular weight of 156.24 g/mol. Its IUPAC name is (3Z)-3-fluoro-2-methylnona-1,3-diene.

Molecular Properties

Compound Name(3Z)-3-fluoro-2-methylnona-1,3-diene
PubChem CID102212097
Molecular FormulaC10H17F
Molecular Weight156.24 g/mol
Exact Mass156.13
IUPAC Name(3Z)-3-fluoro-2-methylnona-1,3-diene
SMILESC=C(C)/C(F)=C/CCCCC
InChIInChI=1S/C10H17F/c1-4-5-6-7-8-10(11)9(2)3/h8H,2,4-7H2,1,3H3/b10-8-
InChIKeyOHEXPAQHLVXUKU-NTMALXAHSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-fluoro-2-methylnona-1,3-diene?
The IUPAC name of (3Z)-3-fluoro-2-methylnona-1,3-diene (CID 102212097) is (3Z)-3-fluoro-2-methylnona-1,3-diene.
What is the SMILES notation for (3Z)-3-fluoro-2-methylnona-1,3-diene?
The canonical SMILES for (3Z)-3-fluoro-2-methylnona-1,3-diene is C=C(C)/C(F)=C/CCCCC.
What is the InChIKey of (3Z)-3-fluoro-2-methylnona-1,3-diene?
The InChIKey is OHEXPAQHLVXUKU-NTMALXAHSA-N. The full InChI is InChI=1S/C10H17F/c1-4-5-6-7-8-10(11)9(2)3/h8H,2,4-7H2,1,3H3/b10-8-.
What are the key properties of (3Z)-3-fluoro-2-methylnona-1,3-diene?
(3Z)-3-fluoro-2-methylnona-1,3-diene has a molecular weight of 156.24 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-fluoro-2-methylnona-1,3-diene is sourced from PubChem (CID 102212097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).