(E)-4-fluoro-1-(methylamino)-3-methylidenehept-4-en-2-ol

C9H16FNO — CID 134224683

IUPAC(E)-4-fluoro-1-(methylamino)-3-methylidenehept-4-en-2-ol
SMILESC=C(/C(F)=C\CC)C(O)CNC
InChIInChI=1S/C9H16FNO/c1-4-5-8(10)7(2)9(12)6-11-3/h5,9,11-12H,2,4,6H2,1,3H3/b8-5+
InChIKeyOCFICGLEROJHHH-VMPITWQZSA-N
MW173.23 g/mol
LogP1.39
Rot. Bonds5

About (E)-4-fluoro-1-(methylamino)-3-methylidenehept-4-en-2-ol

(E)-4-fluoro-1-(methylamino)-3-methylidenehept-4-en-2-ol (PubChem CID 134224683) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (E)-4-fluoro-1-(methylamino)-3-methylidenehept-4-en-2-ol.

Molecular Properties

Compound Name(E)-4-fluoro-1-(methylamino)-3-methylidenehept-4-en-2-ol
PubChem CID134224683
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(E)-4-fluoro-1-(methylamino)-3-methylidenehept-4-en-2-ol
SMILESC=C(/C(F)=C\CC)C(O)CNC
InChIInChI=1S/C9H16FNO/c1-4-5-8(10)7(2)9(12)6-11-3/h5,9,11-12H,2,4,6H2,1,3H3/b8-5+
InChIKeyOCFICGLEROJHHH-VMPITWQZSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
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)-4-fluoro-1-(methylamino)-3-methylidenehept-4-en-2-ol?
The IUPAC name of (E)-4-fluoro-1-(methylamino)-3-methylidenehept-4-en-2-ol (CID 134224683) is (E)-4-fluoro-1-(methylamino)-3-methylidenehept-4-en-2-ol.
What is the SMILES notation for (E)-4-fluoro-1-(methylamino)-3-methylidenehept-4-en-2-ol?
The canonical SMILES for (E)-4-fluoro-1-(methylamino)-3-methylidenehept-4-en-2-ol is C=C(/C(F)=C\CC)C(O)CNC.
What is the InChIKey of (E)-4-fluoro-1-(methylamino)-3-methylidenehept-4-en-2-ol?
The InChIKey is OCFICGLEROJHHH-VMPITWQZSA-N. The full InChI is InChI=1S/C9H16FNO/c1-4-5-8(10)7(2)9(12)6-11-3/h5,9,11-12H,2,4,6H2,1,3H3/b8-5+.
What are the key properties of (E)-4-fluoro-1-(methylamino)-3-methylidenehept-4-en-2-ol?
(E)-4-fluoro-1-(methylamino)-3-methylidenehept-4-en-2-ol has a molecular weight of 173.23 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-1-(methylamino)-3-methylidenehept-4-en-2-ol is sourced from PubChem (CID 134224683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).