7,10-difluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline

C19H19F2N — CID 23433655

IUPAC7,10-difluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline
SMILESCN1CC(C)(C)CC2=C3C=c4c(F)ccc(F)c4=C3C=CC21
InChIInChI=1S/C19H19F2N/c1-19(2)9-14-12-8-13-15(20)5-6-16(21)18(13)11(12)4-7-17(14)22(3)10-19/h4-8,17H,9-10H2,1-3H3
InChIKeyNMGZAANBERPLAF-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.51
Rot. Bonds

About 7,10-difluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline

7,10-difluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline (PubChem CID 23433655) has the molecular formula C19H19F2N and a molecular weight of 299.36 g/mol. Its IUPAC name is 7,10-difluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline.

Molecular Properties

Compound Name7,10-difluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline
PubChem CID23433655
Molecular FormulaC19H19F2N
Molecular Weight299.36 g/mol
Exact Mass299.15
IUPAC Name7,10-difluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline
SMILESCN1CC(C)(C)CC2=C3C=c4c(F)ccc(F)c4=C3C=CC21
InChIInChI=1S/C19H19F2N/c1-19(2)9-14-12-8-13-15(20)5-6-16(21)18(13)11(12)4-7-17(14)22(3)10-19/h4-8,17H,9-10H2,1-3H3
InChIKeyNMGZAANBERPLAF-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,10-difluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline?
The IUPAC name of 7,10-difluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline (CID 23433655) is 7,10-difluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline.
What is the SMILES notation for 7,10-difluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline?
The canonical SMILES for 7,10-difluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline is CN1CC(C)(C)CC2=C3C=c4c(F)ccc(F)c4=C3C=CC21.
What is the InChIKey of 7,10-difluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline?
The InChIKey is NMGZAANBERPLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N/c1-19(2)9-14-12-8-13-15(20)5-6-16(21)18(13)11(12)4-7-17(14)22(3)10-19/h4-8,17H,9-10H2,1-3H3.
What are the key properties of 7,10-difluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline?
7,10-difluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline has a molecular weight of 299.36 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-difluoro-2,2,4-trimethyl-3,4a-dihydro-1H-indeno[2,1-f]quinoline is sourced from PubChem (CID 23433655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).