4-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione

C10H9F2NO2 — CID 171830251

IUPAC4-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1CCCc2[nH]c(=O)cc(C(F)F)c21
InChIInChI=1S/C10H9F2NO2/c11-10(12)5-4-8(15)13-6-2-1-3-7(14)9(5)6/h4,10H,1-3H2,(H,13,15)
InChIKeyYYFJJYHNDMRHKY-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.83
Rot. Bonds1

About 4-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione

4-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 171830251) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name4-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID171830251
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name4-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1CCCc2[nH]c(=O)cc(C(F)F)c21
InChIInChI=1S/C10H9F2NO2/c11-10(12)5-4-8(15)13-6-2-1-3-7(14)9(5)6/h4,10H,1-3H2,(H,13,15)
InChIKeyYYFJJYHNDMRHKY-UHFFFAOYSA-N
XLogP1.83
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 4-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione (CID 171830251) is 4-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 4-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 4-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione is O=C1CCCc2[nH]c(=O)cc(C(F)F)c21.
What is the InChIKey of 4-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is YYFJJYHNDMRHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c11-10(12)5-4-8(15)13-6-2-1-3-7(14)9(5)6/h4,10H,1-3H2,(H,13,15).
What are the key properties of 4-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
4-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 213.18 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 171830251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).