(3Z,5E)-6,7-difluoro-5-methylnona-3,5-diene

C10H16F2 — CID 167105692

IUPAC(3Z,5E)-6,7-difluoro-5-methylnona-3,5-diene
SMILESCC/C=C\C(C)=C(\F)C(F)CC
InChIInChI=1S/C10H16F2/c1-4-6-7-8(3)10(12)9(11)5-2/h6-7,9H,4-5H2,1-3H3/b7-6-,10-8+
InChIKeyKIVNIVAHMCZZMO-VAAURPRASA-N
MW174.23 g/mol
LogP3.94
Rot. Bonds4

About (3Z,5E)-6,7-difluoro-5-methylnona-3,5-diene

(3Z,5E)-6,7-difluoro-5-methylnona-3,5-diene (PubChem CID 167105692) has the molecular formula C10H16F2 and a molecular weight of 174.23 g/mol. Its IUPAC name is (3Z,5E)-6,7-difluoro-5-methylnona-3,5-diene.

Molecular Properties

Compound Name(3Z,5E)-6,7-difluoro-5-methylnona-3,5-diene
PubChem CID167105692
Molecular FormulaC10H16F2
Molecular Weight174.23 g/mol
Exact Mass174.12
IUPAC Name(3Z,5E)-6,7-difluoro-5-methylnona-3,5-diene
SMILESCC/C=C\C(C)=C(\F)C(F)CC
InChIInChI=1S/C10H16F2/c1-4-6-7-8(3)10(12)9(11)5-2/h6-7,9H,4-5H2,1-3H3/b7-6-,10-8+
InChIKeyKIVNIVAHMCZZMO-VAAURPRASA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 142928333
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ethane;(4Z)-2-methylhepta-2,4-dien-3-amine
CID 145261279
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(2E,4Z)-1,3-difluorohepta-2,4-diene
CID 142242505
(3E,5Z)-4-methylocta-3,5-diene
CID 171633334
(E)-3-methyloct-5-en-4-one
CID 14440741
(3E,5Z)-3-methylocta-1,3,5-trien-4-amine
CID 88993026
(Z,2E)-2-(2-fluoropropylidene)hex-3-en-1-amine
CID 129209760
ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene
CID 145061785
(1E,3Z)-N,2-dimethyl-1-[(Z)-propylideneamino]hexa-1,3-dien-1-amine
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(3Z,5E)-octa-3,5-dien-2-one
CID 6428552

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6,7-difluoro-5-methylnona-3,5-diene?
The IUPAC name of (3Z,5E)-6,7-difluoro-5-methylnona-3,5-diene (CID 167105692) is (3Z,5E)-6,7-difluoro-5-methylnona-3,5-diene.
What is the SMILES notation for (3Z,5E)-6,7-difluoro-5-methylnona-3,5-diene?
The canonical SMILES for (3Z,5E)-6,7-difluoro-5-methylnona-3,5-diene is CC/C=C\C(C)=C(\F)C(F)CC.
What is the InChIKey of (3Z,5E)-6,7-difluoro-5-methylnona-3,5-diene?
The InChIKey is KIVNIVAHMCZZMO-VAAURPRASA-N. The full InChI is InChI=1S/C10H16F2/c1-4-6-7-8(3)10(12)9(11)5-2/h6-7,9H,4-5H2,1-3H3/b7-6-,10-8+.
What are the key properties of (3Z,5E)-6,7-difluoro-5-methylnona-3,5-diene?
(3Z,5E)-6,7-difluoro-5-methylnona-3,5-diene has a molecular weight of 174.23 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6,7-difluoro-5-methylnona-3,5-diene is sourced from PubChem (CID 167105692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).