(E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine

C9H16FNO — CID 134224605

IUPAC(E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
SMILESC=C(/C(F)=C\C)[C@H](CNC)OC
InChIInChI=1S/C9H16FNO/c1-5-8(10)7(2)9(12-4)6-11-3/h5,9,11H,2,6H2,1,3-4H3/b8-5+/t9-/m0/s1
InChIKeyCPYZFXQZVDKGOA-QRJSTWQJSA-N
MW173.23 g/mol
LogP1.65
Rot. Bonds5

About (E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine

(E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine (PubChem CID 134224605) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine.

Molecular Properties

Compound Name(E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
PubChem CID134224605
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
SMILESC=C(/C(F)=C\C)[C@H](CNC)OC
InChIInChI=1S/C9H16FNO/c1-5-8(10)7(2)9(12-4)6-11-3/h5,9,11H,2,6H2,1,3-4H3/b8-5+/t9-/m0/s1
InChIKeyCPYZFXQZVDKGOA-QRJSTWQJSA-N
XLogP1.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine?
The IUPAC name of (E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine (CID 134224605) is (E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine.
What is the SMILES notation for (E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine?
The canonical SMILES for (E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine is C=C(/C(F)=C\C)[C@H](CNC)OC.
What is the InChIKey of (E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine?
The InChIKey is CPYZFXQZVDKGOA-QRJSTWQJSA-N. The full InChI is InChI=1S/C9H16FNO/c1-5-8(10)7(2)9(12-4)6-11-3/h5,9,11H,2,6H2,1,3-4H3/b8-5+/t9-/m0/s1.
What are the key properties of (E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine?
(E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine has a molecular weight of 173.23 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine is sourced from PubChem (CID 134224605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).