(3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene

C9H12ClF — CID 134389909

IUPAC(3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene
SMILESC=C/C(Cl)=C(F)\C(C)=C/CC
InChIInChI=1S/C9H12ClF/c1-4-6-7(3)9(11)8(10)5-2/h5-6H,2,4H2,1,3H3/b7-6-,9-8-
InChIKeyDBZORDAXJCEGTO-JPDBVBESSA-N
MW174.65 g/mol
LogP3.95
Rot. Bonds3

About (3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene

(3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene (PubChem CID 134389909) has the molecular formula C9H12ClF and a molecular weight of 174.65 g/mol. Its IUPAC name is (3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene
PubChem CID134389909
Molecular FormulaC9H12ClF
Molecular Weight174.65 g/mol
Exact Mass174.06
IUPAC Name(3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene
SMILESC=C/C(Cl)=C(F)\C(C)=C/CC
InChIInChI=1S/C9H12ClF/c1-4-6-7(3)9(11)8(10)5-2/h5-6H,2,4H2,1,3H3/b7-6-,9-8-
InChIKeyDBZORDAXJCEGTO-JPDBVBESSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.65
LogP ≤ 53.95
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

(3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene
CID 143348498
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
(2Z,4Z)-3-fluoro-4-methyl-2-nitrosohepta-2,4-diene
CID 88587086
(2E,4Z)-3-chloro-4-methylhepta-2,4-diene
CID 134365693
3,4-dichloropenta-1,3-diene
CID 91053470
(3E)-3,4-dichloropenta-1,3-diene
CID 167302623
N-[(E)-pent-2-en-2-yl]methanimine
CID 154559491
(3Z,5Z)-3,4-dichloroocta-1,3,5-triene
CID 88957230
(3E,5Z)-3-tert-butyl-4,5-dimethylocta-1,3,5-triene;2-methylpropane
CID 145382285
(3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene
CID 155708974
3-chloro-4-methylhexa-1,3,5-triene
CID 123411811
2-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene (CID 134389909) is (3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene is C=C/C(Cl)=C(F)\C(C)=C/CC.
What is the InChIKey of (3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene?
The InChIKey is DBZORDAXJCEGTO-JPDBVBESSA-N. The full InChI is InChI=1S/C9H12ClF/c1-4-6-7(3)9(11)8(10)5-2/h5-6H,2,4H2,1,3H3/b7-6-,9-8-.
What are the key properties of (3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene?
(3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene has a molecular weight of 174.65 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene is sourced from PubChem (CID 134389909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).