2-(1,1-difluoroethyl)quinolin-4-amine

C11H10F2N2 — CID 170616673

IUPAC2-(1,1-difluoroethyl)quinolin-4-amine
SMILESCC(F)(F)c1cc(N)c2ccccc2n1
InChIInChI=1S/C11H10F2N2/c1-11(12,13)10-6-8(14)7-4-2-3-5-9(7)15-10/h2-6H,1H3,(H2,14,15)
InChIKeyHLPSODDSVBEYPC-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.93
Rot. Bonds1

About 2-(1,1-difluoroethyl)quinolin-4-amine

2-(1,1-difluoroethyl)quinolin-4-amine (PubChem CID 170616673) has the molecular formula C11H10F2N2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)quinolin-4-amine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)quinolin-4-amine
PubChem CID170616673
Molecular FormulaC11H10F2N2
Molecular Weight208.21 g/mol
Exact Mass208.08
IUPAC Name2-(1,1-difluoroethyl)quinolin-4-amine
SMILESCC(F)(F)c1cc(N)c2ccccc2n1
InChIInChI=1S/C11H10F2N2/c1-11(12,13)10-6-8(14)7-4-2-3-5-9(7)15-10/h2-6H,1H3,(H2,14,15)
InChIKeyHLPSODDSVBEYPC-UHFFFAOYSA-N
XLogP2.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)quinolin-4-amine?
The IUPAC name of 2-(1,1-difluoroethyl)quinolin-4-amine (CID 170616673) is 2-(1,1-difluoroethyl)quinolin-4-amine.
What is the SMILES notation for 2-(1,1-difluoroethyl)quinolin-4-amine?
The canonical SMILES for 2-(1,1-difluoroethyl)quinolin-4-amine is CC(F)(F)c1cc(N)c2ccccc2n1.
What is the InChIKey of 2-(1,1-difluoroethyl)quinolin-4-amine?
The InChIKey is HLPSODDSVBEYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2/c1-11(12,13)10-6-8(14)7-4-2-3-5-9(7)15-10/h2-6H,1H3,(H2,14,15).
What are the key properties of 2-(1,1-difluoroethyl)quinolin-4-amine?
2-(1,1-difluoroethyl)quinolin-4-amine has a molecular weight of 208.21 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)quinolin-4-amine is sourced from PubChem (CID 170616673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).