(3E,5Z,8Z)-3-fluoro-1,9-dimethyl-7-methylidene-2H-azonine

C11H14FN — CID 143750221

IUPAC(3E,5Z,8Z)-3-fluoro-1,9-dimethyl-7-methylidene-2H-azonine
SMILESC=C1/C=C\C=C(\F)CN(C)/C(C)=C\1
InChIInChI=1S/C11H14FN/c1-9-5-4-6-11(12)8-13(3)10(2)7-9/h4-7H,1,8H2,2-3H3/b5-4-,10-7-,11-6+
InChIKeyRZVWSVRNKUZVEQ-VQQDDVEASA-N
MW179.24 g/mol
LogP2.80
Rot. Bonds

About (3E,5Z,8Z)-3-fluoro-1,9-dimethyl-7-methylidene-2H-azonine

(3E,5Z,8Z)-3-fluoro-1,9-dimethyl-7-methylidene-2H-azonine (PubChem CID 143750221) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (3E,5Z,8Z)-3-fluoro-1,9-dimethyl-7-methylidene-2H-azonine.

Molecular Properties

Compound Name(3E,5Z,8Z)-3-fluoro-1,9-dimethyl-7-methylidene-2H-azonine
PubChem CID143750221
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(3E,5Z,8Z)-3-fluoro-1,9-dimethyl-7-methylidene-2H-azonine
SMILESC=C1/C=C\C=C(\F)CN(C)/C(C)=C\1
InChIInChI=1S/C11H14FN/c1-9-5-4-6-11(12)8-13(3)10(2)7-9/h4-7H,1,8H2,2-3H3/b5-4-,10-7-,11-6+
InChIKeyRZVWSVRNKUZVEQ-VQQDDVEASA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-Ethyl-2-methylidene-5-(trifluoromethyl)pyridine
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1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
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CID 123968478
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Frequently Asked Questions

What is the IUPAC name of (3E,5Z,8Z)-3-fluoro-1,9-dimethyl-7-methylidene-2H-azonine?
The IUPAC name of (3E,5Z,8Z)-3-fluoro-1,9-dimethyl-7-methylidene-2H-azonine (CID 143750221) is (3E,5Z,8Z)-3-fluoro-1,9-dimethyl-7-methylidene-2H-azonine.
What is the SMILES notation for (3E,5Z,8Z)-3-fluoro-1,9-dimethyl-7-methylidene-2H-azonine?
The canonical SMILES for (3E,5Z,8Z)-3-fluoro-1,9-dimethyl-7-methylidene-2H-azonine is C=C1/C=C\C=C(\F)CN(C)/C(C)=C\1.
What is the InChIKey of (3E,5Z,8Z)-3-fluoro-1,9-dimethyl-7-methylidene-2H-azonine?
The InChIKey is RZVWSVRNKUZVEQ-VQQDDVEASA-N. The full InChI is InChI=1S/C11H14FN/c1-9-5-4-6-11(12)8-13(3)10(2)7-9/h4-7H,1,8H2,2-3H3/b5-4-,10-7-,11-6+.
What are the key properties of (3E,5Z,8Z)-3-fluoro-1,9-dimethyl-7-methylidene-2H-azonine?
(3E,5Z,8Z)-3-fluoro-1,9-dimethyl-7-methylidene-2H-azonine has a molecular weight of 179.24 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,8Z)-3-fluoro-1,9-dimethyl-7-methylidene-2H-azonine is sourced from PubChem (CID 143750221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).