(1E,3Z)-7,7-difluoro-1-methoxy-5-methylidenecyclonona-1,3-diene

C11H14F2O — CID 122535644

IUPAC(1E,3Z)-7,7-difluoro-1-methoxy-5-methylidenecyclonona-1,3-diene
SMILESC=C1/C=C\C=C(\OC)CCC(F)(F)C1
InChIInChI=1S/C11H14F2O/c1-9-4-3-5-10(14-2)6-7-11(12,13)8-9/h3-5H,1,6-8H2,2H3/b4-3-,10-5+
InChIKeyZXRDKBDWCMAGNS-DXWLQBKVSA-N
MW200.23 g/mol
LogP3.45
Rot. Bonds1

About (1E,3Z)-7,7-difluoro-1-methoxy-5-methylidenecyclonona-1,3-diene

(1E,3Z)-7,7-difluoro-1-methoxy-5-methylidenecyclonona-1,3-diene (PubChem CID 122535644) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is (1E,3Z)-7,7-difluoro-1-methoxy-5-methylidenecyclonona-1,3-diene.

Molecular Properties

Compound Name(1E,3Z)-7,7-difluoro-1-methoxy-5-methylidenecyclonona-1,3-diene
PubChem CID122535644
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(1E,3Z)-7,7-difluoro-1-methoxy-5-methylidenecyclonona-1,3-diene
SMILESC=C1/C=C\C=C(\OC)CCC(F)(F)C1
InChIInChI=1S/C11H14F2O/c1-9-4-3-5-10(14-2)6-7-11(12,13)8-9/h3-5H,1,6-8H2,2H3/b4-3-,10-5+
InChIKeyZXRDKBDWCMAGNS-DXWLQBKVSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-7,7-difluoro-1-methoxy-5-methylidenecyclonona-1,3-diene?
The IUPAC name of (1E,3Z)-7,7-difluoro-1-methoxy-5-methylidenecyclonona-1,3-diene (CID 122535644) is (1E,3Z)-7,7-difluoro-1-methoxy-5-methylidenecyclonona-1,3-diene.
What is the SMILES notation for (1E,3Z)-7,7-difluoro-1-methoxy-5-methylidenecyclonona-1,3-diene?
The canonical SMILES for (1E,3Z)-7,7-difluoro-1-methoxy-5-methylidenecyclonona-1,3-diene is C=C1/C=C\C=C(\OC)CCC(F)(F)C1.
What is the InChIKey of (1E,3Z)-7,7-difluoro-1-methoxy-5-methylidenecyclonona-1,3-diene?
The InChIKey is ZXRDKBDWCMAGNS-DXWLQBKVSA-N. The full InChI is InChI=1S/C11H14F2O/c1-9-4-3-5-10(14-2)6-7-11(12,13)8-9/h3-5H,1,6-8H2,2H3/b4-3-,10-5+.
What are the key properties of (1E,3Z)-7,7-difluoro-1-methoxy-5-methylidenecyclonona-1,3-diene?
(1E,3Z)-7,7-difluoro-1-methoxy-5-methylidenecyclonona-1,3-diene has a molecular weight of 200.23 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-7,7-difluoro-1-methoxy-5-methylidenecyclonona-1,3-diene is sourced from PubChem (CID 122535644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).