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

C10H9F2NO2 — CID 99986293

IUPAC(7S)-7-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1C[C@@H](C(F)F)Cc2[nH]c(=O)ccc21
InChIInChI=1S/C10H9F2NO2/c11-10(12)5-3-7-6(8(14)4-5)1-2-9(15)13-7/h1-2,5,10H,3-4H2,(H,13,15)/t5-/m0/s1
InChIKeyKKCHXDCQYZZHHZ-YFKPBYRVSA-N
MW213.18 g/mol
LogP1.39
Rot. Bonds1

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

(7S)-7-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 99986293) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is (7S)-7-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name(7S)-7-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID99986293
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name(7S)-7-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESO=C1C[C@@H](C(F)F)Cc2[nH]c(=O)ccc21
InChIInChI=1S/C10H9F2NO2/c11-10(12)5-3-7-6(8(14)4-5)1-2-9(15)13-7/h1-2,5,10H,3-4H2,(H,13,15)/t5-/m0/s1
InChIKeyKKCHXDCQYZZHHZ-YFKPBYRVSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of (7S)-7-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione (CID 99986293) is (7S)-7-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for (7S)-7-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for (7S)-7-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione is O=C1C[C@@H](C(F)F)Cc2[nH]c(=O)ccc21.
What is the InChIKey of (7S)-7-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is KKCHXDCQYZZHHZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H9F2NO2/c11-10(12)5-3-7-6(8(14)4-5)1-2-9(15)13-7/h1-2,5,10H,3-4H2,(H,13,15)/t5-/m0/s1.
What are the key properties of (7S)-7-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
(7S)-7-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 213.18 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 99986293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).