(3Z)-5-fluoro-3,6-dimethylhepta-1,3,5-triene

C9H13F — CID 89247549

IUPAC(3Z)-5-fluoro-3,6-dimethylhepta-1,3,5-triene
SMILESC=C/C(C)=C\C(F)=C(C)C
InChIInChI=1S/C9H13F/c1-5-8(4)6-9(10)7(2)3/h5-6H,1H2,2-4H3/b8-6-
InChIKeyQRZWGQTXXRWGMM-VURMDHGXSA-N
MW140.20 g/mol
LogP3.38
Rot. Bonds2

About (3Z)-5-fluoro-3,6-dimethylhepta-1,3,5-triene

(3Z)-5-fluoro-3,6-dimethylhepta-1,3,5-triene (PubChem CID 89247549) has the molecular formula C9H13F and a molecular weight of 140.20 g/mol. Its IUPAC name is (3Z)-5-fluoro-3,6-dimethylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-5-fluoro-3,6-dimethylhepta-1,3,5-triene
PubChem CID89247549
Molecular FormulaC9H13F
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name(3Z)-5-fluoro-3,6-dimethylhepta-1,3,5-triene
SMILESC=C/C(C)=C\C(F)=C(C)C
InChIInChI=1S/C9H13F/c1-5-8(4)6-9(10)7(2)3/h5-6H,1H2,2-4H3/b8-6-
InChIKeyQRZWGQTXXRWGMM-VURMDHGXSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluoro-3,6-dimethylhepta-1,3,5-triene?
The IUPAC name of (3Z)-5-fluoro-3,6-dimethylhepta-1,3,5-triene (CID 89247549) is (3Z)-5-fluoro-3,6-dimethylhepta-1,3,5-triene.
What is the SMILES notation for (3Z)-5-fluoro-3,6-dimethylhepta-1,3,5-triene?
The canonical SMILES for (3Z)-5-fluoro-3,6-dimethylhepta-1,3,5-triene is C=C/C(C)=C\C(F)=C(C)C.
What is the InChIKey of (3Z)-5-fluoro-3,6-dimethylhepta-1,3,5-triene?
The InChIKey is QRZWGQTXXRWGMM-VURMDHGXSA-N. The full InChI is InChI=1S/C9H13F/c1-5-8(4)6-9(10)7(2)3/h5-6H,1H2,2-4H3/b8-6-.
What are the key properties of (3Z)-5-fluoro-3,6-dimethylhepta-1,3,5-triene?
(3Z)-5-fluoro-3,6-dimethylhepta-1,3,5-triene has a molecular weight of 140.20 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-3,6-dimethylhepta-1,3,5-triene is sourced from PubChem (CID 89247549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).