(E)-5-fluoro-N-hex-3-yn-2-ylhex-2-en-3-amine

C12H20FN — CID 134504340

IUPAC(E)-5-fluoro-N-hex-3-yn-2-ylhex-2-en-3-amine
SMILESC/C=C(\CC(C)F)NC(C)C#CCC
InChIInChI=1S/C12H20FN/c1-5-7-8-11(4)14-12(6-2)9-10(3)13/h6,10-11,14H,5,9H2,1-4H3/b12-6+
InChIKeyRDXPCNBPMPLNAM-WUXMJOGZSA-N
MW197.30 g/mol
LogP3.03
Rot. Bonds4

About (E)-5-fluoro-N-hex-3-yn-2-ylhex-2-en-3-amine

(E)-5-fluoro-N-hex-3-yn-2-ylhex-2-en-3-amine (PubChem CID 134504340) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (E)-5-fluoro-N-hex-3-yn-2-ylhex-2-en-3-amine.

Molecular Properties

Compound Name(E)-5-fluoro-N-hex-3-yn-2-ylhex-2-en-3-amine
PubChem CID134504340
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(E)-5-fluoro-N-hex-3-yn-2-ylhex-2-en-3-amine
SMILESC/C=C(\CC(C)F)NC(C)C#CCC
InChIInChI=1S/C12H20FN/c1-5-7-8-11(4)14-12(6-2)9-10(3)13/h6,10-11,14H,5,9H2,1-4H3/b12-6+
InChIKeyRDXPCNBPMPLNAM-WUXMJOGZSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-fluoro-N-hex-3-yn-2-ylhex-2-en-3-amine?
The IUPAC name of (E)-5-fluoro-N-hex-3-yn-2-ylhex-2-en-3-amine (CID 134504340) is (E)-5-fluoro-N-hex-3-yn-2-ylhex-2-en-3-amine.
What is the SMILES notation for (E)-5-fluoro-N-hex-3-yn-2-ylhex-2-en-3-amine?
The canonical SMILES for (E)-5-fluoro-N-hex-3-yn-2-ylhex-2-en-3-amine is C/C=C(\CC(C)F)NC(C)C#CCC.
What is the InChIKey of (E)-5-fluoro-N-hex-3-yn-2-ylhex-2-en-3-amine?
The InChIKey is RDXPCNBPMPLNAM-WUXMJOGZSA-N. The full InChI is InChI=1S/C12H20FN/c1-5-7-8-11(4)14-12(6-2)9-10(3)13/h6,10-11,14H,5,9H2,1-4H3/b12-6+.
What are the key properties of (E)-5-fluoro-N-hex-3-yn-2-ylhex-2-en-3-amine?
(E)-5-fluoro-N-hex-3-yn-2-ylhex-2-en-3-amine has a molecular weight of 197.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-fluoro-N-hex-3-yn-2-ylhex-2-en-3-amine is sourced from PubChem (CID 134504340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).