(5Z,7E)-7-fluoro-2-methyl-4-methylidenenona-5,7-dien-2-amine

C11H18FN — CID 89350511

IUPAC(5Z,7E)-7-fluoro-2-methyl-4-methylidenenona-5,7-dien-2-amine
SMILESC=C(/C=C\C(F)=C/C)CC(C)(C)N
InChIInChI=1S/C11H18FN/c1-5-10(12)7-6-9(2)8-11(3,4)13/h5-7H,2,8,13H2,1,3-4H3/b7-6-,10-5+
InChIKeyYMOYJTWKYSNYDK-JQEGGOPCSA-N
MW183.27 g/mol
LogP3.10
Rot. Bonds4

About (5Z,7E)-7-fluoro-2-methyl-4-methylidenenona-5,7-dien-2-amine

(5Z,7E)-7-fluoro-2-methyl-4-methylidenenona-5,7-dien-2-amine (PubChem CID 89350511) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (5Z,7E)-7-fluoro-2-methyl-4-methylidenenona-5,7-dien-2-amine.

Molecular Properties

Compound Name(5Z,7E)-7-fluoro-2-methyl-4-methylidenenona-5,7-dien-2-amine
PubChem CID89350511
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(5Z,7E)-7-fluoro-2-methyl-4-methylidenenona-5,7-dien-2-amine
SMILESC=C(/C=C\C(F)=C/C)CC(C)(C)N
InChIInChI=1S/C11H18FN/c1-5-10(12)7-6-9(2)8-11(3,4)13/h5-7H,2,8,13H2,1,3-4H3/b7-6-,10-5+
InChIKeyYMOYJTWKYSNYDK-JQEGGOPCSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-7-fluoro-2-methyl-4-methylidenenona-5,7-dien-2-amine?
The IUPAC name of (5Z,7E)-7-fluoro-2-methyl-4-methylidenenona-5,7-dien-2-amine (CID 89350511) is (5Z,7E)-7-fluoro-2-methyl-4-methylidenenona-5,7-dien-2-amine.
What is the SMILES notation for (5Z,7E)-7-fluoro-2-methyl-4-methylidenenona-5,7-dien-2-amine?
The canonical SMILES for (5Z,7E)-7-fluoro-2-methyl-4-methylidenenona-5,7-dien-2-amine is C=C(/C=C\C(F)=C/C)CC(C)(C)N.
What is the InChIKey of (5Z,7E)-7-fluoro-2-methyl-4-methylidenenona-5,7-dien-2-amine?
The InChIKey is YMOYJTWKYSNYDK-JQEGGOPCSA-N. The full InChI is InChI=1S/C11H18FN/c1-5-10(12)7-6-9(2)8-11(3,4)13/h5-7H,2,8,13H2,1,3-4H3/b7-6-,10-5+.
What are the key properties of (5Z,7E)-7-fluoro-2-methyl-4-methylidenenona-5,7-dien-2-amine?
(5Z,7E)-7-fluoro-2-methyl-4-methylidenenona-5,7-dien-2-amine has a molecular weight of 183.27 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-7-fluoro-2-methyl-4-methylidenenona-5,7-dien-2-amine is sourced from PubChem (CID 89350511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).