(2E,3E)-N-fluoro-2-prop-2-enylidene-3-propylidene-5,6,7,8-tetrahydroquinolin-4-amine

C15H19FN2 — CID 142881759

IUPAC(2E,3E)-N-fluoro-2-prop-2-enylidene-3-propylidene-5,6,7,8-tetrahydroquinolin-4-amine
SMILESC=C/C=c1/nc2c(c(NF)/c1=C/CC)CCCC2
InChIInChI=1S/C15H19FN2/c1-3-7-11-13(8-4-2)17-14-10-6-5-9-12(14)15(11)18-16/h4,7-8,18H,2-3,5-6,9-10H2,1H3/b11-7+,13-8+
InChIKeyIDNDTRMFXVIKRW-ZHSLHGDYSA-N
MW246.33 g/mol
LogP2.41
Rot. Bonds3

About (2E,3E)-N-fluoro-2-prop-2-enylidene-3-propylidene-5,6,7,8-tetrahydroquinolin-4-amine

(2E,3E)-N-fluoro-2-prop-2-enylidene-3-propylidene-5,6,7,8-tetrahydroquinolin-4-amine (PubChem CID 142881759) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is (2E,3E)-N-fluoro-2-prop-2-enylidene-3-propylidene-5,6,7,8-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name(2E,3E)-N-fluoro-2-prop-2-enylidene-3-propylidene-5,6,7,8-tetrahydroquinolin-4-amine
PubChem CID142881759
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name(2E,3E)-N-fluoro-2-prop-2-enylidene-3-propylidene-5,6,7,8-tetrahydroquinolin-4-amine
SMILESC=C/C=c1/nc2c(c(NF)/c1=C/CC)CCCC2
InChIInChI=1S/C15H19FN2/c1-3-7-11-13(8-4-2)17-14-10-6-5-9-12(14)15(11)18-16/h4,7-8,18H,2-3,5-6,9-10H2,1H3/b11-7+,13-8+
InChIKeyIDNDTRMFXVIKRW-ZHSLHGDYSA-N
XLogP2.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-N-fluoro-2-prop-2-enylidene-3-propylidene-5,6,7,8-tetrahydroquinolin-4-amine?
The IUPAC name of (2E,3E)-N-fluoro-2-prop-2-enylidene-3-propylidene-5,6,7,8-tetrahydroquinolin-4-amine (CID 142881759) is (2E,3E)-N-fluoro-2-prop-2-enylidene-3-propylidene-5,6,7,8-tetrahydroquinolin-4-amine.
What is the SMILES notation for (2E,3E)-N-fluoro-2-prop-2-enylidene-3-propylidene-5,6,7,8-tetrahydroquinolin-4-amine?
The canonical SMILES for (2E,3E)-N-fluoro-2-prop-2-enylidene-3-propylidene-5,6,7,8-tetrahydroquinolin-4-amine is C=C/C=c1/nc2c(c(NF)/c1=C/CC)CCCC2.
What is the InChIKey of (2E,3E)-N-fluoro-2-prop-2-enylidene-3-propylidene-5,6,7,8-tetrahydroquinolin-4-amine?
The InChIKey is IDNDTRMFXVIKRW-ZHSLHGDYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-3-7-11-13(8-4-2)17-14-10-6-5-9-12(14)15(11)18-16/h4,7-8,18H,2-3,5-6,9-10H2,1H3/b11-7+,13-8+.
What are the key properties of (2E,3E)-N-fluoro-2-prop-2-enylidene-3-propylidene-5,6,7,8-tetrahydroquinolin-4-amine?
(2E,3E)-N-fluoro-2-prop-2-enylidene-3-propylidene-5,6,7,8-tetrahydroquinolin-4-amine has a molecular weight of 246.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-N-fluoro-2-prop-2-enylidene-3-propylidene-5,6,7,8-tetrahydroquinolin-4-amine is sourced from PubChem (CID 142881759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).