(1E,3Z)-1-chloro-6-fluoro-2-methyl-5-methylidenehepta-1,3-diene

C9H12ClF — CID 176929547

IUPAC(1E,3Z)-1-chloro-6-fluoro-2-methyl-5-methylidenehepta-1,3-diene
SMILESC=C(/C=C\C(C)=C\Cl)C(C)F
InChIInChI=1S/C9H12ClF/c1-7(6-10)4-5-8(2)9(3)11/h4-6,9H,2H2,1,3H3/b5-4-,7-6+
InChIKeyKSSMKTXQIPJCBW-SCFJQAPRSA-N
MW174.65 g/mol
LogP3.60
Rot. Bonds3

About (1E,3Z)-1-chloro-6-fluoro-2-methyl-5-methylidenehepta-1,3-diene

(1E,3Z)-1-chloro-6-fluoro-2-methyl-5-methylidenehepta-1,3-diene (PubChem CID 176929547) has the molecular formula C9H12ClF and a molecular weight of 174.65 g/mol. Its IUPAC name is (1E,3Z)-1-chloro-6-fluoro-2-methyl-5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Name(1E,3Z)-1-chloro-6-fluoro-2-methyl-5-methylidenehepta-1,3-diene
PubChem CID176929547
Molecular FormulaC9H12ClF
Molecular Weight174.65 g/mol
Exact Mass174.06
IUPAC Name(1E,3Z)-1-chloro-6-fluoro-2-methyl-5-methylidenehepta-1,3-diene
SMILESC=C(/C=C\C(C)=C\Cl)C(C)F
InChIInChI=1S/C9H12ClF/c1-7(6-10)4-5-8(2)9(3)11/h4-6,9H,2H2,1,3H3/b5-4-,7-6+
InChIKeyKSSMKTXQIPJCBW-SCFJQAPRSA-N
XLogP3.60
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 ≤ 53.60
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

2-Fluorogeranyl chloride
CID 129668172
(1E,3E)-1-chloro-1,3-octadiene
CID 15469426
p-Chloromethylene styrene
CID 67127404
6-Chloro-2,4-octadiene
CID 85777789
Chloromyrcene
CID 88484480
Monochlorodecatriene
CID 129845848
Chlorocimene
CID 129865500
5-Chloro-3-fluoro-2-propan-2-ylcyclohexa-1,3-diene
CID 68102316
2-Chloro-6-fluoro-1-prop-1-en-2-ylcyclohexa-1,3-diene
CID 68266519
5-(Chloromethylidene)-3-fluoro-1-methyl-2-prop-2-enylcyclopentene
CID 70519763
(1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene
CID 87152714
(3Z,5E)-4-chloro-3-fluoro-6-methylocta-1,3,5-triene
CID 88067913

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-chloro-6-fluoro-2-methyl-5-methylidenehepta-1,3-diene?
The IUPAC name of (1E,3Z)-1-chloro-6-fluoro-2-methyl-5-methylidenehepta-1,3-diene (CID 176929547) is (1E,3Z)-1-chloro-6-fluoro-2-methyl-5-methylidenehepta-1,3-diene.
What is the SMILES notation for (1E,3Z)-1-chloro-6-fluoro-2-methyl-5-methylidenehepta-1,3-diene?
The canonical SMILES for (1E,3Z)-1-chloro-6-fluoro-2-methyl-5-methylidenehepta-1,3-diene is C=C(/C=C\C(C)=C\Cl)C(C)F.
What is the InChIKey of (1E,3Z)-1-chloro-6-fluoro-2-methyl-5-methylidenehepta-1,3-diene?
The InChIKey is KSSMKTXQIPJCBW-SCFJQAPRSA-N. The full InChI is InChI=1S/C9H12ClF/c1-7(6-10)4-5-8(2)9(3)11/h4-6,9H,2H2,1,3H3/b5-4-,7-6+.
What are the key properties of (1E,3Z)-1-chloro-6-fluoro-2-methyl-5-methylidenehepta-1,3-diene?
(1E,3Z)-1-chloro-6-fluoro-2-methyl-5-methylidenehepta-1,3-diene has a molecular weight of 174.65 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-chloro-6-fluoro-2-methyl-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 176929547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).