ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine

C16H31FN2O — CID 143418523

IUPACethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine
SMILESC/C=C(\C=C/CN1CCCC1)C(OC)C(N)CF.CC
InChIInChI=1S/C14H25FN2O.C2H6/c1-3-12(14(18-2)13(16)11-15)7-6-10-17-8-4-5-9-17;1-2/h3,6-7,13-14H,4-5,8-11,16H2,1-2H3;1-2H3/b7-6-,12-3+;
InChIKeyDZKQIPOQZYIDLE-XCRJLICUSA-N
MW286.44 g/mol
LogP2.92
Rot. Bonds7

About ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine

ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine (PubChem CID 143418523) has the molecular formula C16H31FN2O and a molecular weight of 286.44 g/mol. Its IUPAC name is ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine.

Molecular Properties

Compound Nameethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine
PubChem CID143418523
Molecular FormulaC16H31FN2O
Molecular Weight286.44 g/mol
Exact Mass286.24
IUPAC Nameethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine
SMILESC/C=C(\C=C/CN1CCCC1)C(OC)C(N)CF.CC
InChIInChI=1S/C14H25FN2O.C2H6/c1-3-12(14(18-2)13(16)11-15)7-6-10-17-8-4-5-9-17;1-2/h3,6-7,13-14H,4-5,8-11,16H2,1-2H3;1-2H3/b7-6-,12-3+;
InChIKeyDZKQIPOQZYIDLE-XCRJLICUSA-N
XLogP2.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine?
The IUPAC name of ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine (CID 143418523) is ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine.
What is the SMILES notation for ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine?
The canonical SMILES for ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine is C/C=C(\C=C/CN1CCCC1)C(OC)C(N)CF.CC.
What is the InChIKey of ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine?
The InChIKey is DZKQIPOQZYIDLE-XCRJLICUSA-N. The full InChI is InChI=1S/C14H25FN2O.C2H6/c1-3-12(14(18-2)13(16)11-15)7-6-10-17-8-4-5-9-17;1-2/h3,6-7,13-14H,4-5,8-11,16H2,1-2H3;1-2H3/b7-6-,12-3+;.
What are the key properties of ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine?
ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine has a molecular weight of 286.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,4E)-4-ethylidene-1-fluoro-3-methoxy-7-pyrrolidin-1-ylhept-5-en-2-amine is sourced from PubChem (CID 143418523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).