2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine

C12H9F5N2 — CID 62893164

IUPAC2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine
SMILESCCNc1cc(C(F)F)nc2c(F)cc(F)c(F)c12
InChIInChI=1S/C12H9F5N2/c1-2-18-7-4-8(12(16)17)19-11-6(14)3-5(13)10(15)9(7)11/h3-4,12H,2H2,1H3,(H,18,19)
InChIKeyMBLUQRYPVVMPOZ-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.02
Rot. Bonds3

About 2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine

2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine (PubChem CID 62893164) has the molecular formula C12H9F5N2 and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine
PubChem CID62893164
Molecular FormulaC12H9F5N2
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine
SMILESCCNc1cc(C(F)F)nc2c(F)cc(F)c(F)c12
InChIInChI=1S/C12H9F5N2/c1-2-18-7-4-8(12(16)17)19-11-6(14)3-5(13)10(15)9(7)11/h3-4,12H,2H2,1H3,(H,18,19)
InChIKeyMBLUQRYPVVMPOZ-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(difluoromethyl)-N-ethyl-6,8-difluoroquinolin-4-amine
CID 102854981
2-tert-butyl-N-ethyl-5,6,8-trifluoroquinolin-4-amine
CID 63484388
5-bromo-2-(difluoromethyl)-6,8-difluoro-N-propylquinolin-4-amine
CID 102854988
5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine
CID 62891074
N,2-diethyl-5,7,8-trifluoroquinolin-4-amine
CID 62813629
N-ethyl-5,8-difluoro-6-methyl-2-(2-methylpropyl)quinolin-4-amine
CID 103587375
7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine
CID 113445336
N-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine
CID 63479612
8-chloro-2-(difluoromethyl)-N-ethylquinolin-4-amine
CID 62890710
N-ethyl-5,7,8-trifluoro-2-propylquinolin-4-amine
CID 63482403
5-(difluoromethyl)-N-ethylthieno[3,2-b]pyridin-7-amine
CID 66354976
5-bromo-N-ethyl-6,8-difluoro-2-(2-methylpropyl)quinolin-4-amine
CID 102854999

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine?
The IUPAC name of 2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine (CID 62893164) is 2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine?
The canonical SMILES for 2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine is CCNc1cc(C(F)F)nc2c(F)cc(F)c(F)c12.
What is the InChIKey of 2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine?
The InChIKey is MBLUQRYPVVMPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F5N2/c1-2-18-7-4-8(12(16)17)19-11-6(14)3-5(13)10(15)9(7)11/h3-4,12H,2H2,1H3,(H,18,19).
What are the key properties of 2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine?
2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine has a molecular weight of 276.21 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine is sourced from PubChem (CID 62893164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).