(2Z,4E)-1-fluoro-6-methyl-4-prop-2-enoxyhepta-2,4-diene

C11H17FO — CID 137417452

IUPAC(2Z,4E)-1-fluoro-6-methyl-4-prop-2-enoxyhepta-2,4-diene
SMILESC=CCOC(/C=C\CF)=C/C(C)C
InChIInChI=1S/C11H17FO/c1-4-8-13-11(6-5-7-12)9-10(2)3/h4-6,9-10H,1,7-8H2,2-3H3/b6-5-,11-9+
InChIKeyBHKZZFDKLMWIHB-QEYVUMQQSA-N
MW184.25 g/mol
LogP3.25
Rot. Bonds6

About (2Z,4E)-1-fluoro-6-methyl-4-prop-2-enoxyhepta-2,4-diene

(2Z,4E)-1-fluoro-6-methyl-4-prop-2-enoxyhepta-2,4-diene (PubChem CID 137417452) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is (2Z,4E)-1-fluoro-6-methyl-4-prop-2-enoxyhepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-1-fluoro-6-methyl-4-prop-2-enoxyhepta-2,4-diene
PubChem CID137417452
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name(2Z,4E)-1-fluoro-6-methyl-4-prop-2-enoxyhepta-2,4-diene
SMILESC=CCOC(/C=C\CF)=C/C(C)C
InChIInChI=1S/C11H17FO/c1-4-8-13-11(6-5-7-12)9-10(2)3/h4-6,9-10H,1,7-8H2,2-3H3/b6-5-,11-9+
InChIKeyBHKZZFDKLMWIHB-QEYVUMQQSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-1-fluoro-6-methyl-4-prop-2-enoxyhepta-2,4-diene?
The IUPAC name of (2Z,4E)-1-fluoro-6-methyl-4-prop-2-enoxyhepta-2,4-diene (CID 137417452) is (2Z,4E)-1-fluoro-6-methyl-4-prop-2-enoxyhepta-2,4-diene.
What is the SMILES notation for (2Z,4E)-1-fluoro-6-methyl-4-prop-2-enoxyhepta-2,4-diene?
The canonical SMILES for (2Z,4E)-1-fluoro-6-methyl-4-prop-2-enoxyhepta-2,4-diene is C=CCOC(/C=C\CF)=C/C(C)C.
What is the InChIKey of (2Z,4E)-1-fluoro-6-methyl-4-prop-2-enoxyhepta-2,4-diene?
The InChIKey is BHKZZFDKLMWIHB-QEYVUMQQSA-N. The full InChI is InChI=1S/C11H17FO/c1-4-8-13-11(6-5-7-12)9-10(2)3/h4-6,9-10H,1,7-8H2,2-3H3/b6-5-,11-9+.
What are the key properties of (2Z,4E)-1-fluoro-6-methyl-4-prop-2-enoxyhepta-2,4-diene?
(2Z,4E)-1-fluoro-6-methyl-4-prop-2-enoxyhepta-2,4-diene has a molecular weight of 184.25 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-1-fluoro-6-methyl-4-prop-2-enoxyhepta-2,4-diene is sourced from PubChem (CID 137417452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).