(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine;methoxymethane

C17H33F3N2O — CID 143418465

IUPAC(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine;methoxymethane
SMILESC/C=C(\C=C/C(C)N(C)CC(F)(F)CC)CC(N)CF.COC
InChIInChI=1S/C15H27F3N2.C2H6O/c1-5-13(9-14(19)10-16)8-7-12(3)20(4)11-15(17,18)6-2;1-3-2/h5,7-8,12,14H,6,9-11,19H2,1-4H3;1-2H3/b8-7-,13-5+;
InChIKeyIRURQEHROSSUMV-DEYSYVFZSA-N
MW338.46 g/mol
LogP3.80
Rot. Bonds9

About (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine;methoxymethane

(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine;methoxymethane (PubChem CID 143418465) has the molecular formula C17H33F3N2O and a molecular weight of 338.46 g/mol. Its IUPAC name is (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine;methoxymethane.

Molecular Properties

Compound Name(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine;methoxymethane
PubChem CID143418465
Molecular FormulaC17H33F3N2O
Molecular Weight338.46 g/mol
Exact Mass338.25
IUPAC Name(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine;methoxymethane
SMILESC/C=C(\C=C/C(C)N(C)CC(F)(F)CC)CC(N)CF.COC
InChIInChI=1S/C15H27F3N2.C2H6O/c1-5-13(9-14(19)10-16)8-7-12(3)20(4)11-15(17,18)6-2;1-3-2/h5,7-8,12,14H,6,9-11,19H2,1-4H3;1-2H3/b8-7-,13-5+;
InChIKeyIRURQEHROSSUMV-DEYSYVFZSA-N
XLogP3.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.80
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 (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine;methoxymethane?
The IUPAC name of (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine;methoxymethane (CID 143418465) is (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine;methoxymethane.
What is the SMILES notation for (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine;methoxymethane?
The canonical SMILES for (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine;methoxymethane is C/C=C(\C=C/C(C)N(C)CC(F)(F)CC)CC(N)CF.COC.
What is the InChIKey of (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine;methoxymethane?
The InChIKey is IRURQEHROSSUMV-DEYSYVFZSA-N. The full InChI is InChI=1S/C15H27F3N2.C2H6O/c1-5-13(9-14(19)10-16)8-7-12(3)20(4)11-15(17,18)6-2;1-3-2/h5,7-8,12,14H,6,9-11,19H2,1-4H3;1-2H3/b8-7-,13-5+;.
What are the key properties of (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine;methoxymethane?
(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine;methoxymethane has a molecular weight of 338.46 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine;methoxymethane is sourced from PubChem (CID 143418465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).