4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline

C10H4ClF4N — CID 62892117

IUPAC4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline
SMILESFc1cc(F)c2c(Cl)cc(C(F)F)nc2c1
InChIInChI=1S/C10H4ClF4N/c11-5-3-8(10(14)15)16-7-2-4(12)1-6(13)9(5)7/h1-3,10H
InChIKeyCBDADWPYBYLOJO-UHFFFAOYSA-N
MW249.59 g/mol
LogP4.10
Rot. Bonds1

About 4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline

4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline (PubChem CID 62892117) has the molecular formula C10H4ClF4N and a molecular weight of 249.59 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline
PubChem CID62892117
Molecular FormulaC10H4ClF4N
Molecular Weight249.59 g/mol
Exact Mass249.00
IUPAC Name4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline
SMILESFc1cc(F)c2c(Cl)cc(C(F)F)nc2c1
InChIInChI=1S/C10H4ClF4N/c11-5-3-8(10(14)15)16-7-2-4(12)1-6(13)9(5)7/h1-3,10H
InChIKeyCBDADWPYBYLOJO-UHFFFAOYSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.59
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline?
The IUPAC name of 4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline (CID 62892117) is 4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline is Fc1cc(F)c2c(Cl)cc(C(F)F)nc2c1.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline?
The InChIKey is CBDADWPYBYLOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF4N/c11-5-3-8(10(14)15)16-7-2-4(12)1-6(13)9(5)7/h1-3,10H.
What are the key properties of 4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline?
4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline has a molecular weight of 249.59 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-5,7-difluoroquinoline is sourced from PubChem (CID 62892117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).