(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine

C14H20FN — CID 143621189

IUPAC(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
SMILESC=C/C(C)=C\C(F)=C(C)\C(=C\CC)\C=N\C
InChIInChI=1S/C14H20FN/c1-6-8-13(10-16-5)12(4)14(15)9-11(3)7-2/h7-10H,2,6H2,1,3-5H3/b11-9-,13-8+,14-12-,16-10+
InChIKeyXMTOJBLWFGFVFR-CUYXHWTPSA-N
MW221.32 g/mol
LogP4.40
Rot. Bonds5

About (2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine

(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine (PubChem CID 143621189) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is (2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine.

Molecular Properties

Compound Name(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
PubChem CID143621189
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
SMILESC=C/C(C)=C\C(F)=C(C)\C(=C\CC)\C=N\C
InChIInChI=1S/C14H20FN/c1-6-8-13(10-16-5)12(4)14(15)9-11(3)7-2/h7-10H,2,6H2,1,3-5H3/b11-9-,13-8+,14-12-,16-10+
InChIKeyXMTOJBLWFGFVFR-CUYXHWTPSA-N
XLogP4.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine?
The IUPAC name of (2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine (CID 143621189) is (2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine.
What is the SMILES notation for (2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine?
The canonical SMILES for (2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine is C=C/C(C)=C\C(F)=C(C)\C(=C\CC)\C=N\C.
What is the InChIKey of (2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine?
The InChIKey is XMTOJBLWFGFVFR-CUYXHWTPSA-N. The full InChI is InChI=1S/C14H20FN/c1-6-8-13(10-16-5)12(4)14(15)9-11(3)7-2/h7-10H,2,6H2,1,3-5H3/b11-9-,13-8+,14-12-,16-10+.
What are the key properties of (2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine?
(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine has a molecular weight of 221.32 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine is sourced from PubChem (CID 143621189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).