(2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine

C14H20FN — CID 166669652

IUPAC(2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine
SMILES[H]/N=C/C(=C\CC)/C(=C/C(C)=C(/C)C=C)CF
InChIInChI=1S/C14H20FN/c1-5-7-13(10-16)14(9-15)8-12(4)11(3)6-2/h6-8,10,16H,2,5,9H2,1,3-4H3/b12-11-,13-7+,14-8+,16-10+
InChIKeyZKTLRJGSQZYPMA-SOJVVJRBSA-N
MW221.32 g/mol
LogP4.39
Rot. Bonds6

About (2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine

(2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine (PubChem CID 166669652) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is (2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine.

Molecular Properties

Compound Name(2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine
PubChem CID166669652
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name(2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine
SMILES[H]/N=C/C(=C\CC)/C(=C/C(C)=C(/C)C=C)CF
InChIInChI=1S/C14H20FN/c1-5-7-13(10-16)14(9-15)8-12(4)11(3)6-2/h6-8,10,16H,2,5,9H2,1,3-4H3/b12-11-,13-7+,14-8+,16-10+
InChIKeyZKTLRJGSQZYPMA-SOJVVJRBSA-N
XLogP4.39
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 54.39
H-Bond Donors ≤ 51
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)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine?
The IUPAC name of (2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine (CID 166669652) is (2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine.
What is the SMILES notation for (2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine?
The canonical SMILES for (2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine is [H]/N=C/C(=C\CC)/C(=C/C(C)=C(/C)C=C)CF.
What is the InChIKey of (2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine?
The InChIKey is ZKTLRJGSQZYPMA-SOJVVJRBSA-N. The full InChI is InChI=1S/C14H20FN/c1-5-7-13(10-16)14(9-15)8-12(4)11(3)6-2/h6-8,10,16H,2,5,9H2,1,3-4H3/b12-11-,13-7+,14-8+,16-10+.
What are the key properties of (2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine?
(2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine has a molecular weight of 221.32 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine is sourced from PubChem (CID 166669652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).