9,9-difluoro-1,3-dimethyl-4-(trifluoromethyl)indeno[2,1-c]pyridine

C15H10F5N — CID 812348

IUPAC9,9-difluoro-1,3-dimethyl-4-(trifluoromethyl)indeno[2,1-c]pyridine
SMILESCc1nc(C)c2c(c1C(F)(F)F)-c1ccccc1C2(F)F
InChIInChI=1S/C15H10F5N/c1-7-12-11(13(8(2)21-7)15(18,19)20)9-5-3-4-6-10(9)14(12,16)17/h3-6H,1-2H3
InChIKeyXNCAHBMQBMRAQH-UHFFFAOYSA-N
MW299.24 g/mol
LogP4.84
Rot. Bonds

About 9,9-difluoro-1,3-dimethyl-4-(trifluoromethyl)indeno[2,1-c]pyridine

9,9-difluoro-1,3-dimethyl-4-(trifluoromethyl)indeno[2,1-c]pyridine (PubChem CID 812348) has the molecular formula C15H10F5N and a molecular weight of 299.24 g/mol. Its IUPAC name is 9,9-difluoro-1,3-dimethyl-4-(trifluoromethyl)indeno[2,1-c]pyridine.

Molecular Properties

Compound Name9,9-difluoro-1,3-dimethyl-4-(trifluoromethyl)indeno[2,1-c]pyridine
PubChem CID812348
Molecular FormulaC15H10F5N
Molecular Weight299.24 g/mol
Exact Mass299.07
IUPAC Name9,9-difluoro-1,3-dimethyl-4-(trifluoromethyl)indeno[2,1-c]pyridine
SMILESCc1nc(C)c2c(c1C(F)(F)F)-c1ccccc1C2(F)F
InChIInChI=1S/C15H10F5N/c1-7-12-11(13(8(2)21-7)15(18,19)20)9-5-3-4-6-10(9)14(12,16)17/h3-6H,1-2H3
InChIKeyXNCAHBMQBMRAQH-UHFFFAOYSA-N
XLogP4.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,9-difluoro-1,3-dimethyl-4-(trifluoromethyl)indeno[2,1-c]pyridine?
The IUPAC name of 9,9-difluoro-1,3-dimethyl-4-(trifluoromethyl)indeno[2,1-c]pyridine (CID 812348) is 9,9-difluoro-1,3-dimethyl-4-(trifluoromethyl)indeno[2,1-c]pyridine.
What is the SMILES notation for 9,9-difluoro-1,3-dimethyl-4-(trifluoromethyl)indeno[2,1-c]pyridine?
The canonical SMILES for 9,9-difluoro-1,3-dimethyl-4-(trifluoromethyl)indeno[2,1-c]pyridine is Cc1nc(C)c2c(c1C(F)(F)F)-c1ccccc1C2(F)F.
What is the InChIKey of 9,9-difluoro-1,3-dimethyl-4-(trifluoromethyl)indeno[2,1-c]pyridine?
The InChIKey is XNCAHBMQBMRAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5N/c1-7-12-11(13(8(2)21-7)15(18,19)20)9-5-3-4-6-10(9)14(12,16)17/h3-6H,1-2H3.
What are the key properties of 9,9-difluoro-1,3-dimethyl-4-(trifluoromethyl)indeno[2,1-c]pyridine?
9,9-difluoro-1,3-dimethyl-4-(trifluoromethyl)indeno[2,1-c]pyridine has a molecular weight of 299.24 g/mol, XLogP of 4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-difluoro-1,3-dimethyl-4-(trifluoromethyl)indeno[2,1-c]pyridine is sourced from PubChem (CID 812348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).