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

C10H17F — CID 102212096

IUPAC(3E)-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-CSKARUKUSA-N
MW156.24 g/mol
LogP4.00
Rot. Bonds5

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

(3E)-3-fluoro-2-methylnona-1,3-diene (PubChem CID 102212096) has the molecular formula C10H17F and a molecular weight of 156.24 g/mol. Its IUPAC name is (3E)-3-fluoro-2-methylnona-1,3-diene.

Molecular Properties

Compound Name(3E)-3-fluoro-2-methylnona-1,3-diene
PubChem CID102212096
Molecular FormulaC10H17F
Molecular Weight156.24 g/mol
Exact Mass156.13
IUPAC Name(3E)-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-CSKARUKUSA-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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Related Compounds

(E)-1-chloro-1-fluorohept-1-ene
CID 173273597
(3E)-3-methylnona-1,3-diene
CID 13382655
ethyl (Z)-2-fluorooct-2-enoate
CID 10867106
(Z)-2-fluoronon-2-enenitrile
CID 11400896
ethyl (Z)-2-fluorohexadec-2-enoate
CID 89415305
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
(E)-3-methylnon-3-ene
CID 5364647
(E)-oct-2-en-2-amine
CID 87259480
2,3,4-trimethyldeca-1,4-diene
CID 123573024
(Z)-2-fluorohept-2-enoic acid
CID 14691011
(3Z)-3-methyldodeca-1,3-diene
CID 13382661
2-fluorooct-2-enal
CID 130783642

Frequently Asked Questions

What is the IUPAC name of (3E)-3-fluoro-2-methylnona-1,3-diene?
The IUPAC name of (3E)-3-fluoro-2-methylnona-1,3-diene (CID 102212096) is (3E)-3-fluoro-2-methylnona-1,3-diene.
What is the SMILES notation for (3E)-3-fluoro-2-methylnona-1,3-diene?
The canonical SMILES for (3E)-3-fluoro-2-methylnona-1,3-diene is C=C(C)/C(F)=C\CCCCC.
What is the InChIKey of (3E)-3-fluoro-2-methylnona-1,3-diene?
The InChIKey is OHEXPAQHLVXUKU-CSKARUKUSA-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 (3E)-3-fluoro-2-methylnona-1,3-diene?
(3E)-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 (3E)-3-fluoro-2-methylnona-1,3-diene is sourced from PubChem (CID 102212096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).