(3E)-4-chloro-2-fluoro-6,6-dimethyl-5-methylidenehepta-1,3-diene

C10H14ClF — CID 145367147

IUPAC(3E)-4-chloro-2-fluoro-6,6-dimethyl-5-methylidenehepta-1,3-diene
SMILESC=C(F)/C=C(/Cl)C(=C)C(C)(C)C
InChIInChI=1S/C10H14ClF/c1-7(12)6-9(11)8(2)10(3,4)5/h6H,1-2H2,3-5H3/b9-6+
InChIKeyCDZTYRUFDWOGOR-RMKNXTFCSA-N
MW188.67 g/mol
LogP4.19
Rot. Bonds2

About (3E)-4-chloro-2-fluoro-6,6-dimethyl-5-methylidenehepta-1,3-diene

(3E)-4-chloro-2-fluoro-6,6-dimethyl-5-methylidenehepta-1,3-diene (PubChem CID 145367147) has the molecular formula C10H14ClF and a molecular weight of 188.67 g/mol. Its IUPAC name is (3E)-4-chloro-2-fluoro-6,6-dimethyl-5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Name(3E)-4-chloro-2-fluoro-6,6-dimethyl-5-methylidenehepta-1,3-diene
PubChem CID145367147
Molecular FormulaC10H14ClF
Molecular Weight188.67 g/mol
Exact Mass188.08
IUPAC Name(3E)-4-chloro-2-fluoro-6,6-dimethyl-5-methylidenehepta-1,3-diene
SMILESC=C(F)/C=C(/Cl)C(=C)C(C)(C)C
InChIInChI=1S/C10H14ClF/c1-7(12)6-9(11)8(2)10(3,4)5/h6H,1-2H2,3-5H3/b9-6+
InChIKeyCDZTYRUFDWOGOR-RMKNXTFCSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.67
LogP ≤ 54.19
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

4-Chloro-5-fluoro-1,5-dimethylcyclohexa-1,3-diene
CID 68396100
(3E,5E)-4-chloro-5-ethyl-6-fluorohepta-1,3,5-triene
CID 88986908
(3Z,5Z)-3-chloro-4-fluoro-2,5-dimethylhepta-1,3,5-triene
CID 89215238
1-Chloro-5-fluoro-3,6-dimethylcyclohexa-1,3-diene
CID 90814976
1-Chloro-2-ethyl-5-fluorocycloocta-1,3,5-triene
CID 91382609
5-(1-Chloro-1-fluoroethyl)-4,5-dimethylocta-1,3,7-triene
CID 123155949
3-[Chloro(difluoro)methyl]-2,3-dimethylhexa-1,4-diene
CID 123407985
1-Chloro-6-fluoro-2,4-dimethylcyclohexa-1,3-diene
CID 123638268
5-Chloro-3-fluoro-1,4,7-trimethylcyclohepta-1,3,5-triene
CID 123723275
4-Chloro-3-fluoro-6-methylideneocta-2,4-diene
CID 123740579
(3E)-4-chloro-2-fluoro-6-methylhepta-1,3-diene
CID 134357915
(2E,4E)-5-chloro-2-fluoro-6-methylideneocta-2,4-diene
CID 134365708

Frequently Asked Questions

What is the IUPAC name of (3E)-4-chloro-2-fluoro-6,6-dimethyl-5-methylidenehepta-1,3-diene?
The IUPAC name of (3E)-4-chloro-2-fluoro-6,6-dimethyl-5-methylidenehepta-1,3-diene (CID 145367147) is (3E)-4-chloro-2-fluoro-6,6-dimethyl-5-methylidenehepta-1,3-diene.
What is the SMILES notation for (3E)-4-chloro-2-fluoro-6,6-dimethyl-5-methylidenehepta-1,3-diene?
The canonical SMILES for (3E)-4-chloro-2-fluoro-6,6-dimethyl-5-methylidenehepta-1,3-diene is C=C(F)/C=C(/Cl)C(=C)C(C)(C)C.
What is the InChIKey of (3E)-4-chloro-2-fluoro-6,6-dimethyl-5-methylidenehepta-1,3-diene?
The InChIKey is CDZTYRUFDWOGOR-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H14ClF/c1-7(12)6-9(11)8(2)10(3,4)5/h6H,1-2H2,3-5H3/b9-6+.
What are the key properties of (3E)-4-chloro-2-fluoro-6,6-dimethyl-5-methylidenehepta-1,3-diene?
(3E)-4-chloro-2-fluoro-6,6-dimethyl-5-methylidenehepta-1,3-diene has a molecular weight of 188.67 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-chloro-2-fluoro-6,6-dimethyl-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 145367147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).