5-chloro-2-(difluoromethyl)-7-fluoroquinolin-4-amine

C10H6ClF3N2 — CID 107370540

IUPAC5-chloro-2-(difluoromethyl)-7-fluoroquinolin-4-amine
SMILESNc1cc(C(F)F)nc2cc(F)cc(Cl)c12
InChIInChI=1S/C10H6ClF3N2/c11-5-1-4(12)2-7-9(5)6(15)3-8(16-7)10(13)14/h1-3,10H,(H2,15,16)
InChIKeyVRCOLZWZWCBYKP-UHFFFAOYSA-N
MW246.62 g/mol
LogP3.55
Rot. Bonds1

About 5-chloro-2-(difluoromethyl)-7-fluoroquinolin-4-amine

5-chloro-2-(difluoromethyl)-7-fluoroquinolin-4-amine (PubChem CID 107370540) has the molecular formula C10H6ClF3N2 and a molecular weight of 246.62 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-7-fluoroquinolin-4-amine.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-7-fluoroquinolin-4-amine
PubChem CID107370540
Molecular FormulaC10H6ClF3N2
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC Name5-chloro-2-(difluoromethyl)-7-fluoroquinolin-4-amine
SMILESNc1cc(C(F)F)nc2cc(F)cc(Cl)c12
InChIInChI=1S/C10H6ClF3N2/c11-5-1-4(12)2-7-9(5)6(15)3-8(16-7)10(13)14/h1-3,10H,(H2,15,16)
InChIKeyVRCOLZWZWCBYKP-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-7-fluoroquinolin-4-amine?
The IUPAC name of 5-chloro-2-(difluoromethyl)-7-fluoroquinolin-4-amine (CID 107370540) is 5-chloro-2-(difluoromethyl)-7-fluoroquinolin-4-amine.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-7-fluoroquinolin-4-amine?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-7-fluoroquinolin-4-amine is Nc1cc(C(F)F)nc2cc(F)cc(Cl)c12.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-7-fluoroquinolin-4-amine?
The InChIKey is VRCOLZWZWCBYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2/c11-5-1-4(12)2-7-9(5)6(15)3-8(16-7)10(13)14/h1-3,10H,(H2,15,16).
What are the key properties of 5-chloro-2-(difluoromethyl)-7-fluoroquinolin-4-amine?
5-chloro-2-(difluoromethyl)-7-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 5-chloro-2-(difluoromethyl)-7-fluoroquinolin-4-amine is sourced from PubChem (CID 107370540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).