1-[(2Z)-1-[(3,4-difluorophenyl)methyl]-2-propylidene-3-pyridinyl]ethenamine

C17H18F2N2 — CID 143605300

IUPAC1-[(2Z)-1-[(3,4-difluorophenyl)methyl]-2-propylidene-3-pyridinyl]ethenamine
SMILESC=C(N)C1=CC=CN(Cc2ccc(F)c(F)c2)/C1=C\CC
InChIInChI=1S/C17H18F2N2/c1-3-5-17-14(12(2)20)6-4-9-21(17)11-13-7-8-15(18)16(19)10-13/h4-10H,2-3,11,20H2,1H3/b17-5-
InChIKeyBKQXASCXGJMMEB-ZWSORDCHSA-N
MW288.34 g/mol
LogP3.99
Rot. Bonds4

About 1-[(2Z)-1-[(3,4-difluorophenyl)methyl]-2-propylidene-3-pyridinyl]ethenamine

1-[(2Z)-1-[(3,4-difluorophenyl)methyl]-2-propylidene-3-pyridinyl]ethenamine (PubChem CID 143605300) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-[(2Z)-1-[(3,4-difluorophenyl)methyl]-2-propylidene-3-pyridinyl]ethenamine.

Molecular Properties

Compound Name1-[(2Z)-1-[(3,4-difluorophenyl)methyl]-2-propylidene-3-pyridinyl]ethenamine
PubChem CID143605300
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name1-[(2Z)-1-[(3,4-difluorophenyl)methyl]-2-propylidene-3-pyridinyl]ethenamine
SMILESC=C(N)C1=CC=CN(Cc2ccc(F)c(F)c2)/C1=C\CC
InChIInChI=1S/C17H18F2N2/c1-3-5-17-14(12(2)20)6-4-9-21(17)11-13-7-8-15(18)16(19)10-13/h4-10H,2-3,11,20H2,1H3/b17-5-
InChIKeyBKQXASCXGJMMEB-ZWSORDCHSA-N
XLogP3.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-1-[(3,4-difluorophenyl)methyl]-2-propylidene-3-pyridinyl]ethenamine?
The IUPAC name of 1-[(2Z)-1-[(3,4-difluorophenyl)methyl]-2-propylidene-3-pyridinyl]ethenamine (CID 143605300) is 1-[(2Z)-1-[(3,4-difluorophenyl)methyl]-2-propylidene-3-pyridinyl]ethenamine.
What is the SMILES notation for 1-[(2Z)-1-[(3,4-difluorophenyl)methyl]-2-propylidene-3-pyridinyl]ethenamine?
The canonical SMILES for 1-[(2Z)-1-[(3,4-difluorophenyl)methyl]-2-propylidene-3-pyridinyl]ethenamine is C=C(N)C1=CC=CN(Cc2ccc(F)c(F)c2)/C1=C\CC.
What is the InChIKey of 1-[(2Z)-1-[(3,4-difluorophenyl)methyl]-2-propylidene-3-pyridinyl]ethenamine?
The InChIKey is BKQXASCXGJMMEB-ZWSORDCHSA-N. The full InChI is InChI=1S/C17H18F2N2/c1-3-5-17-14(12(2)20)6-4-9-21(17)11-13-7-8-15(18)16(19)10-13/h4-10H,2-3,11,20H2,1H3/b17-5-.
What are the key properties of 1-[(2Z)-1-[(3,4-difluorophenyl)methyl]-2-propylidene-3-pyridinyl]ethenamine?
1-[(2Z)-1-[(3,4-difluorophenyl)methyl]-2-propylidene-3-pyridinyl]ethenamine has a molecular weight of 288.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-1-[(3,4-difluorophenyl)methyl]-2-propylidene-3-pyridinyl]ethenamine is sourced from PubChem (CID 143605300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).