(E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine

C9H16FN — CID 142166676

IUPAC(E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine
SMILESCC/C=C(CN)\C(F)=C/CC
InChIInChI=1S/C9H16FN/c1-3-5-8(7-11)9(10)6-4-2/h5-6H,3-4,7,11H2,1-2H3/b8-5-,9-6+
InChIKeyUTHAXSHKTXTDLS-LDFAFZTOSA-N
MW157.23 g/mol
LogP2.54
Rot. Bonds4

About (E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine

(E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine (PubChem CID 142166676) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine.

Molecular Properties

Compound Name(E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine
PubChem CID142166676
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine
SMILESCC/C=C(CN)\C(F)=C/CC
InChIInChI=1S/C9H16FN/c1-3-5-8(7-11)9(10)6-4-2/h5-6H,3-4,7,11H2,1-2H3/b8-5-,9-6+
InChIKeyUTHAXSHKTXTDLS-LDFAFZTOSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.54
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 (E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine?
The IUPAC name of (E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine (CID 142166676) is (E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine.
What is the SMILES notation for (E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine?
The canonical SMILES for (E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine is CC/C=C(CN)\C(F)=C/CC.
What is the InChIKey of (E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine?
The InChIKey is UTHAXSHKTXTDLS-LDFAFZTOSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-5-8(7-11)9(10)6-4-2/h5-6H,3-4,7,11H2,1-2H3/b8-5-,9-6+.
What are the key properties of (E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine?
(E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine has a molecular weight of 157.23 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine is sourced from PubChem (CID 142166676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).