ethane;(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine

C11H22FNO — CID 142486634

IUPACethane;(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine
SMILESC=C(NC)/C(OCCC)=C(\C)F.CC
InChIInChI=1S/C9H16FNO.C2H6/c1-5-6-12-9(7(2)10)8(3)11-4;1-2/h11H,3,5-6H2,1-2,4H3;1-2H3/b9-7-;
InChIKeyLOQBCXNCQXQCDZ-VILQZVERSA-N
MW203.30 g/mol
LogP3.37
Rot. Bonds5

About ethane;(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine

ethane;(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine (PubChem CID 142486634) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is ethane;(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine.

Molecular Properties

Compound Nameethane;(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine
PubChem CID142486634
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Nameethane;(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine
SMILESC=C(NC)/C(OCCC)=C(\C)F.CC
InChIInChI=1S/C9H16FNO.C2H6/c1-5-6-12-9(7(2)10)8(3)11-4;1-2/h11H,3,5-6H2,1-2,4H3;1-2H3/b9-7-;
InChIKeyLOQBCXNCQXQCDZ-VILQZVERSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine?
The IUPAC name of ethane;(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine (CID 142486634) is ethane;(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine.
What is the SMILES notation for ethane;(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine?
The canonical SMILES for ethane;(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine is C=C(NC)/C(OCCC)=C(\C)F.CC.
What is the InChIKey of ethane;(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine?
The InChIKey is LOQBCXNCQXQCDZ-VILQZVERSA-N. The full InChI is InChI=1S/C9H16FNO.C2H6/c1-5-6-12-9(7(2)10)8(3)11-4;1-2/h11H,3,5-6H2,1-2,4H3;1-2H3/b9-7-;.
What are the key properties of ethane;(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine?
ethane;(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine has a molecular weight of 203.30 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine is sourced from PubChem (CID 142486634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).