(6Z)-2,5-difluoro-6-methylnona-1,3,6-triene

C10H14F2 — CID 142857696

IUPAC(6Z)-2,5-difluoro-6-methylnona-1,3,6-triene
SMILESC=C(F)C=CC(F)/C(C)=C\CC
InChIInChI=1S/C10H14F2/c1-4-5-8(2)10(12)7-6-9(3)11/h5-7,10H,3-4H2,1-2H3/b7-6?,8-5-
InChIKeyCHEVKYDHWRRWPY-GLMYLDSSSA-N
MW172.22 g/mol
LogP3.72
Rot. Bonds4

About (6Z)-2,5-difluoro-6-methylnona-1,3,6-triene

(6Z)-2,5-difluoro-6-methylnona-1,3,6-triene (PubChem CID 142857696) has the molecular formula C10H14F2 and a molecular weight of 172.22 g/mol. Its IUPAC name is (6Z)-2,5-difluoro-6-methylnona-1,3,6-triene.

Molecular Properties

Compound Name(6Z)-2,5-difluoro-6-methylnona-1,3,6-triene
PubChem CID142857696
Molecular FormulaC10H14F2
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(6Z)-2,5-difluoro-6-methylnona-1,3,6-triene
SMILESC=C(F)C=CC(F)/C(C)=C\CC
InChIInChI=1S/C10H14F2/c1-4-5-8(2)10(12)7-6-9(3)11/h5-7,10H,3-4H2,1-2H3/b7-6?,8-5-
InChIKeyCHEVKYDHWRRWPY-GLMYLDSSSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6Z)-5-fluoro-6-methylnona-1,6-diene
CID 139323815
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(2Z,5E)-5-methylocta-2,5-dien-4-ol
CID 172570769
(3Z,7Z)-2-fluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
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(E,2R)-3-methylhex-3-en-2-amine
CID 146859099
(Z)-4,5-dimethylhept-3-ene
CID 142511472
(3E,5E)-3-ethenyl-5-(1-fluoroprop-2-enyl)-2,4-dimethylocta-1,3,5-triene
CID 130420883
(Z)-2-propan-2-yloxypent-2-ene
CID 145137792
(E,2R)-2,3-dimethylhex-3-enal
CID 88870284
5-methylocta-1,3,5-triene
CID 123706098
1,1-difluorobut-1-ene;propane
CID 54149650

Frequently Asked Questions

What is the IUPAC name of (6Z)-2,5-difluoro-6-methylnona-1,3,6-triene?
The IUPAC name of (6Z)-2,5-difluoro-6-methylnona-1,3,6-triene (CID 142857696) is (6Z)-2,5-difluoro-6-methylnona-1,3,6-triene.
What is the SMILES notation for (6Z)-2,5-difluoro-6-methylnona-1,3,6-triene?
The canonical SMILES for (6Z)-2,5-difluoro-6-methylnona-1,3,6-triene is C=C(F)C=CC(F)/C(C)=C\CC.
What is the InChIKey of (6Z)-2,5-difluoro-6-methylnona-1,3,6-triene?
The InChIKey is CHEVKYDHWRRWPY-GLMYLDSSSA-N. The full InChI is InChI=1S/C10H14F2/c1-4-5-8(2)10(12)7-6-9(3)11/h5-7,10H,3-4H2,1-2H3/b7-6?,8-5-.
What are the key properties of (6Z)-2,5-difluoro-6-methylnona-1,3,6-triene?
(6Z)-2,5-difluoro-6-methylnona-1,3,6-triene has a molecular weight of 172.22 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2,5-difluoro-6-methylnona-1,3,6-triene is sourced from PubChem (CID 142857696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).