5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine

C12H9F5N2 — CID 63743910

IUPAC5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCNc1c(C)c(C(F)(F)F)nc2c(F)ccc(F)c12
InChIInChI=1S/C12H9F5N2/c1-5-9(18-2)8-6(13)3-4-7(14)10(8)19-11(5)12(15,16)17/h3-4H,1-2H3,(H,18,19)
InChIKeyDQWYRIFZIGNZRX-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.88
Rot. Bonds1

About 5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine

5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 63743910) has the molecular formula C12H9F5N2 and a molecular weight of 276.21 g/mol. Its IUPAC name is 5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
PubChem CID63743910
Molecular FormulaC12H9F5N2
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
SMILESCNc1c(C)c(C(F)(F)F)nc2c(F)ccc(F)c12
InChIInChI=1S/C12H9F5N2/c1-5-9(18-2)8-6(13)3-4-7(14)10(8)19-11(5)12(15,16)17/h3-4H,1-2H3,(H,18,19)
InChIKeyDQWYRIFZIGNZRX-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine (CID 63743910) is 5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine is CNc1c(C)c(C(F)(F)F)nc2c(F)ccc(F)c12.
What is the InChIKey of 5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is DQWYRIFZIGNZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F5N2/c1-5-9(18-2)8-6(13)3-4-7(14)10(8)19-11(5)12(15,16)17/h3-4H,1-2H3,(H,18,19).
What are the key properties of 5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine?
5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 276.21 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 63743910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).