3-[(4,4-difluorocyclohexyl)methyl]-5-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine

C16H17F5N2 — CID 141336127

IUPAC3-[(4,4-difluorocyclohexyl)methyl]-5-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1cccc2nc(C(F)(F)F)c(CC3CCC(F)(F)CC3)n12
InChIInChI=1S/C16H17F5N2/c1-10-3-2-4-13-22-14(16(19,20)21)12(23(10)13)9-11-5-7-15(17,18)8-6-11/h2-4,11H,5-9H2,1H3
InChIKeyXDYOMHAEDIUXRW-UHFFFAOYSA-N
MW332.32 g/mol
LogP5.03
Rot. Bonds2

About 3-[(4,4-difluorocyclohexyl)methyl]-5-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[(4,4-difluorocyclohexyl)methyl]-5-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 141336127) has the molecular formula C16H17F5N2 and a molecular weight of 332.32 g/mol. Its IUPAC name is 3-[(4,4-difluorocyclohexyl)methyl]-5-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[(4,4-difluorocyclohexyl)methyl]-5-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID141336127
Molecular FormulaC16H17F5N2
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name3-[(4,4-difluorocyclohexyl)methyl]-5-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1cccc2nc(C(F)(F)F)c(CC3CCC(F)(F)CC3)n12
InChIInChI=1S/C16H17F5N2/c1-10-3-2-4-13-22-14(16(19,20)21)12(23(10)13)9-11-5-7-15(17,18)8-6-11/h2-4,11H,5-9H2,1H3
InChIKeyXDYOMHAEDIUXRW-UHFFFAOYSA-N
XLogP5.03
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.32
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-difluorocyclohexyl)methyl]-5-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[(4,4-difluorocyclohexyl)methyl]-5-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 141336127) is 3-[(4,4-difluorocyclohexyl)methyl]-5-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[(4,4-difluorocyclohexyl)methyl]-5-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[(4,4-difluorocyclohexyl)methyl]-5-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine is Cc1cccc2nc(C(F)(F)F)c(CC3CCC(F)(F)CC3)n12.
What is the InChIKey of 3-[(4,4-difluorocyclohexyl)methyl]-5-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is XDYOMHAEDIUXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F5N2/c1-10-3-2-4-13-22-14(16(19,20)21)12(23(10)13)9-11-5-7-15(17,18)8-6-11/h2-4,11H,5-9H2,1H3.
What are the key properties of 3-[(4,4-difluorocyclohexyl)methyl]-5-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-[(4,4-difluorocyclohexyl)methyl]-5-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 332.32 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-difluorocyclohexyl)methyl]-5-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 141336127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).