(3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene

C11H17F — CID 145100268

IUPAC(3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene
SMILESC=C(C)/C(=C\C(F)=C(C)C)CC
InChIInChI=1S/C11H17F/c1-6-10(8(2)3)7-11(12)9(4)5/h7H,2,6H2,1,3-5H3/b10-7-
InChIKeyOSRWAGHDMXVZMR-YFHOEESVSA-N
MW168.25 g/mol
LogP4.16
Rot. Bonds3

About (3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene

(3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene (PubChem CID 145100268) has the molecular formula C11H17F and a molecular weight of 168.25 g/mol. Its IUPAC name is (3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene
PubChem CID145100268
Molecular FormulaC11H17F
Molecular Weight168.25 g/mol
Exact Mass168.13
IUPAC Name(3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene
SMILESC=C(C)/C(=C\C(F)=C(C)C)CC
InChIInChI=1S/C11H17F/c1-6-10(8(2)3)7-11(12)9(4)5/h7H,2,6H2,1,3-5H3/b10-7-
InChIKeyOSRWAGHDMXVZMR-YFHOEESVSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(1Z)-2-ethyl-3-methylbuta-1,3-dien-1-amine
CID 143331601
(2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144678722
(3E)-2,3-difluoro-5-methylidenehepta-1,3-diene
CID 142945501
(3E)-3-ethoxy-5-fluoro-2-methylhexa-1,3,5-triene
CID 143876439
(2E)-2-ethyl-4-fluoropenta-2,4-dienamide
CID 170178694
ethane;(4E,7Z)-7-ethyl-2,3-dimethyl-6-methylidene-5-prop-1-en-2-ylnona-2,4,7-triene
CID 167492357
(3E)-3-chloro-5-fluoro-6-methylhepta-1,3,5-triene
CID 143795791
(3Z)-2-fluoro-4-methyl-5-methylidenehepta-1,3-diene
CID 169164324
ethane;(3Z,5Z)-5-ethyl-2,4-dimethylhepta-1,3,5-triene
CID 144632740
ethane;(3E)-5-fluoro-6-methylhepta-1,3,5-trien-3-amine
CID 145356068
(3Z,5Z)-3-ethyl-5-methylhepta-1,3,5-trien-2-ol
CID 142260565
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene?
The IUPAC name of (3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene (CID 145100268) is (3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene.
What is the SMILES notation for (3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene?
The canonical SMILES for (3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene is C=C(C)/C(=C\C(F)=C(C)C)CC.
What is the InChIKey of (3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene?
The InChIKey is OSRWAGHDMXVZMR-YFHOEESVSA-N. The full InChI is InChI=1S/C11H17F/c1-6-10(8(2)3)7-11(12)9(4)5/h7H,2,6H2,1,3-5H3/b10-7-.
What are the key properties of (3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene?
(3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene has a molecular weight of 168.25 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethyl-5-fluoro-2,6-dimethylhepta-1,3,5-triene is sourced from PubChem (CID 145100268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).