(3Z,5Z)-4-chloro-6-ethyl-3-fluoro-7-methyl-5-prop-1-en-2-ylocta-1,3,5-triene

C14H20ClF — CID 169127725

IUPAC(3Z,5Z)-4-chloro-6-ethyl-3-fluoro-7-methyl-5-prop-1-en-2-ylocta-1,3,5-triene
SMILESC=C/C(F)=C(Cl)\C(C(=C)C)=C(\CC)C(C)C
InChIInChI=1S/C14H20ClF/c1-7-11(9(3)4)13(10(5)6)14(15)12(16)8-2/h8-9H,2,5,7H2,1,3-4,6H3/b13-11-,14-12-
InChIKeyPGKAOTBSWOYVGK-XSYHWHKQSA-N
MW242.76 g/mol
LogP5.53
Rot. Bonds5

About (3Z,5Z)-4-chloro-6-ethyl-3-fluoro-7-methyl-5-prop-1-en-2-ylocta-1,3,5-triene

(3Z,5Z)-4-chloro-6-ethyl-3-fluoro-7-methyl-5-prop-1-en-2-ylocta-1,3,5-triene (PubChem CID 169127725) has the molecular formula C14H20ClF and a molecular weight of 242.76 g/mol. Its IUPAC name is (3Z,5Z)-4-chloro-6-ethyl-3-fluoro-7-methyl-5-prop-1-en-2-ylocta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-4-chloro-6-ethyl-3-fluoro-7-methyl-5-prop-1-en-2-ylocta-1,3,5-triene
PubChem CID169127725
Molecular FormulaC14H20ClF
Molecular Weight242.76 g/mol
Exact Mass242.12
IUPAC Name(3Z,5Z)-4-chloro-6-ethyl-3-fluoro-7-methyl-5-prop-1-en-2-ylocta-1,3,5-triene
SMILESC=C/C(F)=C(Cl)\C(C(=C)C)=C(\CC)C(C)C
InChIInChI=1S/C14H20ClF/c1-7-11(9(3)4)13(10(5)6)14(15)12(16)8-2/h8-9H,2,5,7H2,1,3-4,6H3/b13-11-,14-12-
InChIKeyPGKAOTBSWOYVGK-XSYHWHKQSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.76
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-4-chloro-6-ethyl-3-fluoro-7-methyl-5-prop-1-en-2-ylocta-1,3,5-triene with MolForge

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Related Compounds

(2E,4Z)-4-chloro-5-fluoro-N,2-dimethyl-3-prop-1-en-2-ylhepta-2,4,6-trien-1-imine;ethane
CID 176951443
(3E)-2,4-difluoro-3-propan-2-ylhexa-1,3,5-triene
CID 145074832
(3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene
CID 155708974
(E)-3-ethyl-4-methylpent-2-en-2-ol
CID 173103704
3-methylidenepent-1-ene
CID 18850
ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene
CID 163367523
3-fluoro-2,3-dimethyl-4-methylidenehexane
CID 143721817
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
(3Z)-3-ethenyl-4-fluoro-5-methylhexa-3,5-dien-2-ol
CID 143420580
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
(2Z)-3-chloro-2-ethenyl-4-methylpenta-2,4-dien-1-amine
CID 142547597
(3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene
CID 145100268

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-chloro-6-ethyl-3-fluoro-7-methyl-5-prop-1-en-2-ylocta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-4-chloro-6-ethyl-3-fluoro-7-methyl-5-prop-1-en-2-ylocta-1,3,5-triene (CID 169127725) is (3Z,5Z)-4-chloro-6-ethyl-3-fluoro-7-methyl-5-prop-1-en-2-ylocta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-4-chloro-6-ethyl-3-fluoro-7-methyl-5-prop-1-en-2-ylocta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-4-chloro-6-ethyl-3-fluoro-7-methyl-5-prop-1-en-2-ylocta-1,3,5-triene is C=C/C(F)=C(Cl)\C(C(=C)C)=C(\CC)C(C)C.
What is the InChIKey of (3Z,5Z)-4-chloro-6-ethyl-3-fluoro-7-methyl-5-prop-1-en-2-ylocta-1,3,5-triene?
The InChIKey is PGKAOTBSWOYVGK-XSYHWHKQSA-N. The full InChI is InChI=1S/C14H20ClF/c1-7-11(9(3)4)13(10(5)6)14(15)12(16)8-2/h8-9H,2,5,7H2,1,3-4,6H3/b13-11-,14-12-.
What are the key properties of (3Z,5Z)-4-chloro-6-ethyl-3-fluoro-7-methyl-5-prop-1-en-2-ylocta-1,3,5-triene?
(3Z,5Z)-4-chloro-6-ethyl-3-fluoro-7-methyl-5-prop-1-en-2-ylocta-1,3,5-triene has a molecular weight of 242.76 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-chloro-6-ethyl-3-fluoro-7-methyl-5-prop-1-en-2-ylocta-1,3,5-triene is sourced from PubChem (CID 169127725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).