(3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene

C10H13Cl2F — CID 155708974

IUPAC(3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene
SMILESC=C/C(Cl)=C(Cl)\C(F)=C(/C)C(C)C
InChIInChI=1S/C10H13Cl2F/c1-5-8(11)9(12)10(13)7(4)6(2)3/h5-6H,1H2,2-4H3/b9-8-,10-7-
InChIKeyJNMIHGRCXZHVIN-NFIXMJHSSA-N
MW223.12 g/mol
LogP4.76
Rot. Bonds3

About (3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene

(3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene (PubChem CID 155708974) has the molecular formula C10H13Cl2F and a molecular weight of 223.12 g/mol. Its IUPAC name is (3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene
PubChem CID155708974
Molecular FormulaC10H13Cl2F
Molecular Weight223.12 g/mol
Exact Mass222.04
IUPAC Name(3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene
SMILESC=C/C(Cl)=C(Cl)\C(F)=C(/C)C(C)C
InChIInChI=1S/C10H13Cl2F/c1-5-8(11)9(12)10(13)7(4)6(2)3/h5-6H,1H2,2-4H3/b9-8-,10-7-
InChIKeyJNMIHGRCXZHVIN-NFIXMJHSSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.12
LogP ≤ 54.76
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

3,4-dichloropenta-1,3-diene
CID 91053470
(3E)-3,4-dichloropenta-1,3-diene
CID 167302623
(3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene
CID 134389909
(3Z)-2,3,4-trichlorohexa-1,3,5-triene
CID 88891012
3-chloro-4-methylhexa-1,3,5-triene
CID 123411811
(3Z,5Z)-4-chloro-6-ethyl-3-fluoro-7-methyl-5-prop-1-en-2-ylocta-1,3,5-triene
CID 169127725
(3E)-3-chloro-5-fluoro-6-methylhepta-1,3,5-triene
CID 143795791
(3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene
CID 143832543
(3Z)-3-ethenyl-4-fluoro-5-methylhexa-3,5-dien-2-ol
CID 143420580
4,5-difluoro-3-propan-2-ylhepta-1,3,5-triene
CID 123433916
(2Z,4Z)-3,5-dichloro-2-ethenyl-4-fluorohexa-2,4-dienoic acid
CID 143014667
(2-amino-5-chloro-4-methylhepta-4,6-dien-3-yl) N-propan-2-ylcarbamate
CID 123564657

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene (CID 155708974) is (3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene is C=C/C(Cl)=C(Cl)\C(F)=C(/C)C(C)C.
What is the InChIKey of (3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene?
The InChIKey is JNMIHGRCXZHVIN-NFIXMJHSSA-N. The full InChI is InChI=1S/C10H13Cl2F/c1-5-8(11)9(12)10(13)7(4)6(2)3/h5-6H,1H2,2-4H3/b9-8-,10-7-.
What are the key properties of (3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene?
(3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene has a molecular weight of 223.12 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene is sourced from PubChem (CID 155708974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).