(3Z,5Z)-4-ethyl-7-fluorohepta-1,3,5-triene;N-methylethanamine

C12H22FN — CID 143750157

IUPAC(3Z,5Z)-4-ethyl-7-fluorohepta-1,3,5-triene;N-methylethanamine
SMILESC=C/C=C(\C=C/CF)CC.CCNC
InChIInChI=1S/C9H13F.C3H9N/c1-3-6-9(4-2)7-5-8-10;1-3-4-2/h3,5-7H,1,4,8H2,2H3;4H,3H2,1-2H3/b7-5-,9-6-;
InChIKeyOGIYBTHQVUUGOK-ORYMYBSFSA-N
MW199.31 g/mol
LogP3.26
Rot. Bonds5

About (3Z,5Z)-4-ethyl-7-fluorohepta-1,3,5-triene;N-methylethanamine

(3Z,5Z)-4-ethyl-7-fluorohepta-1,3,5-triene;N-methylethanamine (PubChem CID 143750157) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is (3Z,5Z)-4-ethyl-7-fluorohepta-1,3,5-triene;N-methylethanamine.

Molecular Properties

Compound Name(3Z,5Z)-4-ethyl-7-fluorohepta-1,3,5-triene;N-methylethanamine
PubChem CID143750157
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name(3Z,5Z)-4-ethyl-7-fluorohepta-1,3,5-triene;N-methylethanamine
SMILESC=C/C=C(\C=C/CF)CC.CCNC
InChIInChI=1S/C9H13F.C3H9N/c1-3-6-9(4-2)7-5-8-10;1-3-4-2/h3,5-7H,1,4,8H2,2H3;4H,3H2,1-2H3/b7-5-,9-6-;
InChIKeyOGIYBTHQVUUGOK-ORYMYBSFSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-4-ethyl-7-fluorohepta-1,3,5-triene;N-methylethanamine with MolForge

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Related Compounds

(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene
CID 142047079
(3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene
CID 118002257
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(3E,5E,7E)-4-ethylnona-1,3,5,7-tetraene
CID 143912648
(2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine
CID 130330265
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
(2E)-2-ethylpenta-2,4-dienal
CID 88543271
(3Z,6Z,7Z)-6-ethylidene-4-[(Z)-prop-1-enyl]deca-1,3,7-triene
CID 144556498
[(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate
CID 143244884
(1Z,3Z,5Z,7Z)-N-ethyl-3-prop-2-enylidenedeca-1,5,7-trien-1-amine
CID 166724369
2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol
CID 143653650

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-ethyl-7-fluorohepta-1,3,5-triene;N-methylethanamine?
The IUPAC name of (3Z,5Z)-4-ethyl-7-fluorohepta-1,3,5-triene;N-methylethanamine (CID 143750157) is (3Z,5Z)-4-ethyl-7-fluorohepta-1,3,5-triene;N-methylethanamine.
What is the SMILES notation for (3Z,5Z)-4-ethyl-7-fluorohepta-1,3,5-triene;N-methylethanamine?
The canonical SMILES for (3Z,5Z)-4-ethyl-7-fluorohepta-1,3,5-triene;N-methylethanamine is C=C/C=C(\C=C/CF)CC.CCNC.
What is the InChIKey of (3Z,5Z)-4-ethyl-7-fluorohepta-1,3,5-triene;N-methylethanamine?
The InChIKey is OGIYBTHQVUUGOK-ORYMYBSFSA-N. The full InChI is InChI=1S/C9H13F.C3H9N/c1-3-6-9(4-2)7-5-8-10;1-3-4-2/h3,5-7H,1,4,8H2,2H3;4H,3H2,1-2H3/b7-5-,9-6-;.
What are the key properties of (3Z,5Z)-4-ethyl-7-fluorohepta-1,3,5-triene;N-methylethanamine?
(3Z,5Z)-4-ethyl-7-fluorohepta-1,3,5-triene;N-methylethanamine has a molecular weight of 199.31 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-ethyl-7-fluorohepta-1,3,5-triene;N-methylethanamine is sourced from PubChem (CID 143750157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).