4-chloro-7-(trifluoromethyl)quinolin-3-amine

C10H6ClF3N2 — CID 133061186

IUPAC4-chloro-7-(trifluoromethyl)quinolin-3-amine
SMILESNc1cnc2cc(C(F)(F)F)ccc2c1Cl
InChIInChI=1S/C10H6ClF3N2/c11-9-6-2-1-5(10(12,13)14)3-8(6)16-4-7(9)15/h1-4H,15H2
InChIKeyYQCWHONKVWPZDS-UHFFFAOYSA-N
MW246.62 g/mol
LogP3.49
Rot. Bonds

About 4-chloro-7-(trifluoromethyl)quinolin-3-amine

4-chloro-7-(trifluoromethyl)quinolin-3-amine (PubChem CID 133061186) has the molecular formula C10H6ClF3N2 and a molecular weight of 246.62 g/mol. Its IUPAC name is 4-chloro-7-(trifluoromethyl)quinolin-3-amine.

Molecular Properties

Compound Name4-chloro-7-(trifluoromethyl)quinolin-3-amine
PubChem CID133061186
Molecular FormulaC10H6ClF3N2
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC Name4-chloro-7-(trifluoromethyl)quinolin-3-amine
SMILESNc1cnc2cc(C(F)(F)F)ccc2c1Cl
InChIInChI=1S/C10H6ClF3N2/c11-9-6-2-1-5(10(12,13)14)3-8(6)16-4-7(9)15/h1-4H,15H2
InChIKeyYQCWHONKVWPZDS-UHFFFAOYSA-N
XLogP3.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.62
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-7-(trifluoromethyl)naphthalen-2-amine
CID 18451487
7-(trifluoromethyl)quinoxalin-2-amine
CID 21313066
7-(trifluoromethyl)quinolin-3-amine
CID 22326826
4-methyl-7-(trifluoromethyl)quinolin-3-ol
CID 105484353
4-phenyl-6-(trifluoromethyl)quinolin-3-amine
CID 10469344
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954
8-chloro-2,2-difluoro-[1,3]dioxolo[4,5-g]quinolin-7-amine
CID 102614003
1-[3-chloro-7-(trifluoromethyl)quinolin-4-yl]piperidin-4-ol
CID 94002429
7-(trifluoromethyl)-[1,2]oxazolo[4,5-c]quinolin-3-one
CID 146019786
8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 175863091
2-chloro-9-methyl-6-(trifluoromethyl)acridine
CID 146170270
8-(trifluoromethyl)pyrazolo[1,5-c]quinazoline
CID 3768300

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(trifluoromethyl)quinolin-3-amine?
The IUPAC name of 4-chloro-7-(trifluoromethyl)quinolin-3-amine (CID 133061186) is 4-chloro-7-(trifluoromethyl)quinolin-3-amine.
What is the SMILES notation for 4-chloro-7-(trifluoromethyl)quinolin-3-amine?
The canonical SMILES for 4-chloro-7-(trifluoromethyl)quinolin-3-amine is Nc1cnc2cc(C(F)(F)F)ccc2c1Cl.
What is the InChIKey of 4-chloro-7-(trifluoromethyl)quinolin-3-amine?
The InChIKey is YQCWHONKVWPZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2/c11-9-6-2-1-5(10(12,13)14)3-8(6)16-4-7(9)15/h1-4H,15H2.
What are the key properties of 4-chloro-7-(trifluoromethyl)quinolin-3-amine?
4-chloro-7-(trifluoromethyl)quinolin-3-amine has a molecular weight of 246.62 g/mol, XLogP of 3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(trifluoromethyl)quinolin-3-amine is sourced from PubChem (CID 133061186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).