(3Z)-5-chloro-7-fluoro-3,8-dimethylnona-1,3,5-triene

C11H16ClF — CID 134389877

IUPAC(3Z)-5-chloro-7-fluoro-3,8-dimethylnona-1,3,5-triene
SMILESC=C/C(C)=C\C(Cl)=CC(F)C(C)C
InChIInChI=1S/C11H16ClF/c1-5-9(4)6-10(12)7-11(13)8(2)3/h5-8,11H,1H2,2-4H3/b9-6-,10-7?
InChIKeyCQGPWDRLANMDQN-UIZUMPKGSA-N
MW202.70 g/mol
LogP4.24
Rot. Bonds4

About (3Z)-5-chloro-7-fluoro-3,8-dimethylnona-1,3,5-triene

(3Z)-5-chloro-7-fluoro-3,8-dimethylnona-1,3,5-triene (PubChem CID 134389877) has the molecular formula C11H16ClF and a molecular weight of 202.70 g/mol. Its IUPAC name is (3Z)-5-chloro-7-fluoro-3,8-dimethylnona-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-5-chloro-7-fluoro-3,8-dimethylnona-1,3,5-triene
PubChem CID134389877
Molecular FormulaC11H16ClF
Molecular Weight202.70 g/mol
Exact Mass202.09
IUPAC Name(3Z)-5-chloro-7-fluoro-3,8-dimethylnona-1,3,5-triene
SMILESC=C/C(C)=C\C(Cl)=CC(F)C(C)C
InChIInChI=1S/C11H16ClF/c1-5-9(4)6-10(12)7-11(13)8(2)3/h5-8,11H,1H2,2-4H3/b9-6-,10-7?
InChIKeyCQGPWDRLANMDQN-UIZUMPKGSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.70
LogP ≤ 54.24
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-chloro-7-fluoro-3,8-dimethylnona-1,3,5-triene?
The IUPAC name of (3Z)-5-chloro-7-fluoro-3,8-dimethylnona-1,3,5-triene (CID 134389877) is (3Z)-5-chloro-7-fluoro-3,8-dimethylnona-1,3,5-triene.
What is the SMILES notation for (3Z)-5-chloro-7-fluoro-3,8-dimethylnona-1,3,5-triene?
The canonical SMILES for (3Z)-5-chloro-7-fluoro-3,8-dimethylnona-1,3,5-triene is C=C/C(C)=C\C(Cl)=CC(F)C(C)C.
What is the InChIKey of (3Z)-5-chloro-7-fluoro-3,8-dimethylnona-1,3,5-triene?
The InChIKey is CQGPWDRLANMDQN-UIZUMPKGSA-N. The full InChI is InChI=1S/C11H16ClF/c1-5-9(4)6-10(12)7-11(13)8(2)3/h5-8,11H,1H2,2-4H3/b9-6-,10-7?.
What are the key properties of (3Z)-5-chloro-7-fluoro-3,8-dimethylnona-1,3,5-triene?
(3Z)-5-chloro-7-fluoro-3,8-dimethylnona-1,3,5-triene has a molecular weight of 202.70 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-7-fluoro-3,8-dimethylnona-1,3,5-triene is sourced from PubChem (CID 134389877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).