8-(2,4-difluorophenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

C20H17F2N — CID 51360672

IUPAC8-(2,4-difluorophenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(-c3ccc(F)cc3F)cc3c(c21)C1CCC3C1
InChIInChI=1S/C20H17F2N/c1-23-7-6-15-17(14-5-4-13(21)9-18(14)22)10-16-11-2-3-12(8-11)19(16)20(15)23/h4-7,9-12H,2-3,8H2,1H3
InChIKeyXBIKQICSCKNSFC-UHFFFAOYSA-N
MW309.36 g/mol
LogP5.49
Rot. Bonds1

About 8-(2,4-difluorophenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene

8-(2,4-difluorophenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (PubChem CID 51360672) has the molecular formula C20H17F2N and a molecular weight of 309.36 g/mol. Its IUPAC name is 8-(2,4-difluorophenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.

Molecular Properties

Compound Name8-(2,4-difluorophenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
PubChem CID51360672
Molecular FormulaC20H17F2N
Molecular Weight309.36 g/mol
Exact Mass309.13
IUPAC Name8-(2,4-difluorophenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene
SMILESCn1ccc2c(-c3ccc(F)cc3F)cc3c(c21)C1CCC3C1
InChIInChI=1S/C20H17F2N/c1-23-7-6-15-17(14-5-4-13(21)9-18(14)22)10-16-11-2-3-12(8-11)19(16)20(15)23/h4-7,9-12H,2-3,8H2,1H3
InChIKeyXBIKQICSCKNSFC-UHFFFAOYSA-N
XLogP5.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.36
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-difluorophenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The IUPAC name of 8-(2,4-difluorophenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene (CID 51360672) is 8-(2,4-difluorophenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene.
What is the SMILES notation for 8-(2,4-difluorophenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The canonical SMILES for 8-(2,4-difluorophenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is Cn1ccc2c(-c3ccc(F)cc3F)cc3c(c21)C1CCC3C1.
What is the InChIKey of 8-(2,4-difluorophenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
The InChIKey is XBIKQICSCKNSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N/c1-23-7-6-15-17(14-5-4-13(21)9-18(14)22)10-16-11-2-3-12(8-11)19(16)20(15)23/h4-7,9-12H,2-3,8H2,1H3.
What are the key properties of 8-(2,4-difluorophenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene?
8-(2,4-difluorophenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene has a molecular weight of 309.36 g/mol, XLogP of 5.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-difluorophenyl)-4-methyl-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraene is sourced from PubChem (CID 51360672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).