ethane;(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine;methoxymethane

C19H36FNO2S — CID 143418319

IUPACethane;(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine;methoxymethane
SMILESC/C=C(\C=C/C(C)C1=CCS(=O)CC1)CC(N)CF.CC.COC
InChIInChI=1S/C15H24FNOS.C2H6O.C2H6/c1-3-13(10-15(17)11-16)5-4-12(2)14-6-8-19(18)9-7-14;1-3-2;1-2/h3-6,12,15H,7-11,17H2,1-2H3;1-2H3;1-2H3/b5-4-,13-3+;;
InChIKeyXSEJVPCHBZYIBR-MQOSEQLPSA-N
MW361.57 g/mol
LogP4.18
Rot. Bonds6

About ethane;(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine;methoxymethane

ethane;(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine;methoxymethane (PubChem CID 143418319) has the molecular formula C19H36FNO2S and a molecular weight of 361.57 g/mol. Its IUPAC name is ethane;(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine;methoxymethane.

Molecular Properties

Compound Nameethane;(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine;methoxymethane
PubChem CID143418319
Molecular FormulaC19H36FNO2S
Molecular Weight361.57 g/mol
Exact Mass361.25
IUPAC Nameethane;(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine;methoxymethane
SMILESC/C=C(\C=C/C(C)C1=CCS(=O)CC1)CC(N)CF.CC.COC
InChIInChI=1S/C15H24FNOS.C2H6O.C2H6/c1-3-13(10-15(17)11-16)5-4-12(2)14-6-8-19(18)9-7-14;1-3-2;1-2/h3-6,12,15H,7-11,17H2,1-2H3;1-2H3;1-2H3/b5-4-,13-3+;;
InChIKeyXSEJVPCHBZYIBR-MQOSEQLPSA-N
XLogP4.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.57
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine;methoxymethane with MolForge

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Launch Full Analysis

Related Compounds

(4Z)-1-fluoro-4-[(Z)-3-(oxan-4-ylmethylsulfinyl)prop-1-enyl]hepta-4,6-dien-2-amine
CID 129313230
1-(4-Cyclopentylsulfinyl-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropropan-2-amine
CID 129313618
(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine
CID 143418320

Frequently Asked Questions

What is the IUPAC name of ethane;(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine;methoxymethane?
The IUPAC name of ethane;(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine;methoxymethane (CID 143418319) is ethane;(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine;methoxymethane.
What is the SMILES notation for ethane;(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine;methoxymethane?
The canonical SMILES for ethane;(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine;methoxymethane is C/C=C(\C=C/C(C)C1=CCS(=O)CC1)CC(N)CF.CC.COC.
What is the InChIKey of ethane;(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine;methoxymethane?
The InChIKey is XSEJVPCHBZYIBR-MQOSEQLPSA-N. The full InChI is InChI=1S/C15H24FNOS.C2H6O.C2H6/c1-3-13(10-15(17)11-16)5-4-12(2)14-6-8-19(18)9-7-14;1-3-2;1-2/h3-6,12,15H,7-11,17H2,1-2H3;1-2H3;1-2H3/b5-4-,13-3+;;.
What are the key properties of ethane;(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine;methoxymethane?
ethane;(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine;methoxymethane has a molecular weight of 361.57 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine;methoxymethane is sourced from PubChem (CID 143418319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).