8-chloro-2-(difluoromethyl)-5-fluoroquinolin-4-amine

C10H6ClF3N2 — CID 107531305

IUPAC8-chloro-2-(difluoromethyl)-5-fluoroquinolin-4-amine
SMILESNc1cc(C(F)F)nc2c(Cl)ccc(F)c12
InChIInChI=1S/C10H6ClF3N2/c11-4-1-2-5(12)8-6(15)3-7(10(13)14)16-9(4)8/h1-3,10H,(H2,15,16)
InChIKeyAJLLVQLEFUKPAT-UHFFFAOYSA-N
MW246.62 g/mol
LogP3.55
Rot. Bonds1

About 8-chloro-2-(difluoromethyl)-5-fluoroquinolin-4-amine

8-chloro-2-(difluoromethyl)-5-fluoroquinolin-4-amine (PubChem CID 107531305) has the molecular formula C10H6ClF3N2 and a molecular weight of 246.62 g/mol. Its IUPAC name is 8-chloro-2-(difluoromethyl)-5-fluoroquinolin-4-amine.

Molecular Properties

Compound Name8-chloro-2-(difluoromethyl)-5-fluoroquinolin-4-amine
PubChem CID107531305
Molecular FormulaC10H6ClF3N2
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC Name8-chloro-2-(difluoromethyl)-5-fluoroquinolin-4-amine
SMILESNc1cc(C(F)F)nc2c(Cl)ccc(F)c12
InChIInChI=1S/C10H6ClF3N2/c11-4-1-2-5(12)8-6(15)3-7(10(13)14)16-9(4)8/h1-3,10H,(H2,15,16)
InChIKeyAJLLVQLEFUKPAT-UHFFFAOYSA-N
XLogP3.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.62
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,8-dichloro-2-(difluoromethyl)-5-fluoroquinoline
CID 107530946
8-chloro-2-ethyl-5-fluoroquinolin-4-amine
CID 107531270
4-chloro-2-(difluoromethyl)-5,8-difluoroquinoline
CID 62890910
2-(difluoromethyl)-8-fluoro-5-methylquinolin-4-amine
CID 62891759
5-chloro-2-(difluoromethyl)-7-fluoroquinolin-4-amine
CID 107370540
4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline
CID 62891436
8-chloro-5-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 107531286
2-(difluoromethyl)-6,8-difluoroquinolin-4-amine
CID 62891939
5-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-amine
CID 55045501
3-chloro-6-(difluoromethyl)-2-iodopyridin-4-amine
CID 130102520
2-(difluoromethyl)-6,7-difluoroquinolin-4-amine
CID 62890537
4,8-dichloro-5-fluoro-2-phenylquinoline
CID 107530938

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(difluoromethyl)-5-fluoroquinolin-4-amine?
The IUPAC name of 8-chloro-2-(difluoromethyl)-5-fluoroquinolin-4-amine (CID 107531305) is 8-chloro-2-(difluoromethyl)-5-fluoroquinolin-4-amine.
What is the SMILES notation for 8-chloro-2-(difluoromethyl)-5-fluoroquinolin-4-amine?
The canonical SMILES for 8-chloro-2-(difluoromethyl)-5-fluoroquinolin-4-amine is Nc1cc(C(F)F)nc2c(Cl)ccc(F)c12.
What is the InChIKey of 8-chloro-2-(difluoromethyl)-5-fluoroquinolin-4-amine?
The InChIKey is AJLLVQLEFUKPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2/c11-4-1-2-5(12)8-6(15)3-7(10(13)14)16-9(4)8/h1-3,10H,(H2,15,16).
What are the key properties of 8-chloro-2-(difluoromethyl)-5-fluoroquinolin-4-amine?
8-chloro-2-(difluoromethyl)-5-fluoroquinolin-4-amine has a molecular weight of 246.62 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(difluoromethyl)-5-fluoroquinolin-4-amine is sourced from PubChem (CID 107531305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).