4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline

C11H5ClF5N — CID 63743382

IUPAC4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline
SMILESCc1c(C(F)(F)F)nc2c(F)cc(F)cc2c1Cl
InChIInChI=1S/C11H5ClF5N/c1-4-8(12)6-2-5(13)3-7(14)9(6)18-10(4)11(15,16)17/h2-3H,1H3
InChIKeyHZRPNWIGHHLMDH-UHFFFAOYSA-N
MW281.61 g/mol
LogP4.49
Rot. Bonds

About 4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline

4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline (PubChem CID 63743382) has the molecular formula C11H5ClF5N and a molecular weight of 281.61 g/mol. Its IUPAC name is 4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline
PubChem CID63743382
Molecular FormulaC11H5ClF5N
Molecular Weight281.61 g/mol
Exact Mass281.00
IUPAC Name4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline
SMILESCc1c(C(F)(F)F)nc2c(F)cc(F)cc2c1Cl
InChIInChI=1S/C11H5ClF5N/c1-4-8(12)6-2-5(13)3-7(14)9(6)18-10(4)11(15,16)17/h2-3H,1H3
InChIKeyHZRPNWIGHHLMDH-UHFFFAOYSA-N
XLogP4.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.61
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline (CID 63743382) is 4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline is Cc1c(C(F)(F)F)nc2c(F)cc(F)cc2c1Cl.
What is the InChIKey of 4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline?
The InChIKey is HZRPNWIGHHLMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF5N/c1-4-8(12)6-2-5(13)3-7(14)9(6)18-10(4)11(15,16)17/h2-3H,1H3.
What are the key properties of 4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline?
4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline has a molecular weight of 281.61 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,8-difluoro-3-methyl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 63743382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).