(3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine

C12H18FN — CID 143750155

IUPAC(3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine
SMILESC/C1=C/C(F)=C\CN(C)/C(C)=C\C1C
InChIInChI=1S/C12H18FN/c1-9-7-11(3)14(4)6-5-12(13)8-10(9)2/h5,7-9H,6H2,1-4H3/b10-8-,11-7-,12-5+
InChIKeyUZLQWQBCOAYKEW-KCDCQDIPSA-N
MW195.28 g/mol
LogP3.27
Rot. Bonds

About (3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine

(3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine (PubChem CID 143750155) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is (3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine.

Molecular Properties

Compound Name(3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine
PubChem CID143750155
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name(3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine
SMILESC/C1=C/C(F)=C\CN(C)/C(C)=C\C1C
InChIInChI=1S/C12H18FN/c1-9-7-11(3)14(4)6-5-12(13)8-10(9)2/h5,7-9H,6H2,1-4H3/b10-8-,11-7-,12-5+
InChIKeyUZLQWQBCOAYKEW-KCDCQDIPSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine?
The IUPAC name of (3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine (CID 143750155) is (3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine.
What is the SMILES notation for (3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine?
The canonical SMILES for (3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine is C/C1=C/C(F)=C\CN(C)/C(C)=C\C1C.
What is the InChIKey of (3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine?
The InChIKey is UZLQWQBCOAYKEW-KCDCQDIPSA-N. The full InChI is InChI=1S/C12H18FN/c1-9-7-11(3)14(4)6-5-12(13)8-10(9)2/h5,7-9H,6H2,1-4H3/b10-8-,11-7-,12-5+.
What are the key properties of (3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine?
(3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine has a molecular weight of 195.28 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine is sourced from PubChem (CID 143750155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).