9-chloro-7-(difluoromethoxy)-1,2,3,4-tetrahydroacridine

C14H12ClF2NO — CID 55187703

IUPAC9-chloro-7-(difluoromethoxy)-1,2,3,4-tetrahydroacridine
SMILESFC(F)Oc1ccc2nc3c(c(Cl)c2c1)CCCC3
InChIInChI=1S/C14H12ClF2NO/c15-13-9-3-1-2-4-11(9)18-12-6-5-8(7-10(12)13)19-14(16)17/h5-7,14H,1-4H2
InChIKeyTXCAYTWEXLYICH-UHFFFAOYSA-N
MW283.70 g/mol
LogP4.37
Rot. Bonds2

About 9-chloro-7-(difluoromethoxy)-1,2,3,4-tetrahydroacridine

9-chloro-7-(difluoromethoxy)-1,2,3,4-tetrahydroacridine (PubChem CID 55187703) has the molecular formula C14H12ClF2NO and a molecular weight of 283.70 g/mol. Its IUPAC name is 9-chloro-7-(difluoromethoxy)-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name9-chloro-7-(difluoromethoxy)-1,2,3,4-tetrahydroacridine
PubChem CID55187703
Molecular FormulaC14H12ClF2NO
Molecular Weight283.70 g/mol
Exact Mass283.06
IUPAC Name9-chloro-7-(difluoromethoxy)-1,2,3,4-tetrahydroacridine
SMILESFC(F)Oc1ccc2nc3c(c(Cl)c2c1)CCCC3
InChIInChI=1S/C14H12ClF2NO/c15-13-9-3-1-2-4-11(9)18-12-6-5-8(7-10(12)13)19-14(16)17/h5-7,14H,1-4H2
InChIKeyTXCAYTWEXLYICH-UHFFFAOYSA-N
XLogP4.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-7-(difluoromethoxy)-1,2,3,4-tetrahydroacridine?
The IUPAC name of 9-chloro-7-(difluoromethoxy)-1,2,3,4-tetrahydroacridine (CID 55187703) is 9-chloro-7-(difluoromethoxy)-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for 9-chloro-7-(difluoromethoxy)-1,2,3,4-tetrahydroacridine?
The canonical SMILES for 9-chloro-7-(difluoromethoxy)-1,2,3,4-tetrahydroacridine is FC(F)Oc1ccc2nc3c(c(Cl)c2c1)CCCC3.
What is the InChIKey of 9-chloro-7-(difluoromethoxy)-1,2,3,4-tetrahydroacridine?
The InChIKey is TXCAYTWEXLYICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c15-13-9-3-1-2-4-11(9)18-12-6-5-8(7-10(12)13)19-14(16)17/h5-7,14H,1-4H2.
What are the key properties of 9-chloro-7-(difluoromethoxy)-1,2,3,4-tetrahydroacridine?
9-chloro-7-(difluoromethoxy)-1,2,3,4-tetrahydroacridine has a molecular weight of 283.70 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-7-(difluoromethoxy)-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 55187703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).