4-(difluoromethyl)-6-fluoro-1H-quinolin-2-one

C10H6F3NO — CID 112757555

IUPAC4-(difluoromethyl)-6-fluoro-1H-quinolin-2-one
SMILESO=c1cc(C(F)F)c2cc(F)ccc2[nH]1
InChIInChI=1S/C10H6F3NO/c11-5-1-2-8-6(3-5)7(10(12)13)4-9(15)14-8/h1-4,10H,(H,14,15)
InChIKeyDTHFIDMEQGVKOK-UHFFFAOYSA-N
MW213.16 g/mol
LogP2.60
Rot. Bonds1

About 4-(difluoromethyl)-6-fluoro-1H-quinolin-2-one

4-(difluoromethyl)-6-fluoro-1H-quinolin-2-one (PubChem CID 112757555) has the molecular formula C10H6F3NO and a molecular weight of 213.16 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-6-fluoro-1H-quinolin-2-one
PubChem CID112757555
Molecular FormulaC10H6F3NO
Molecular Weight213.16 g/mol
Exact Mass213.04
IUPAC Name4-(difluoromethyl)-6-fluoro-1H-quinolin-2-one
SMILESO=c1cc(C(F)F)c2cc(F)ccc2[nH]1
InChIInChI=1S/C10H6F3NO/c11-5-1-2-8-6(3-5)7(10(12)13)4-9(15)14-8/h1-4,10H,(H,14,15)
InChIKeyDTHFIDMEQGVKOK-UHFFFAOYSA-N
XLogP2.60
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-fluoro-1H-quinolin-2-one?
The IUPAC name of 4-(difluoromethyl)-6-fluoro-1H-quinolin-2-one (CID 112757555) is 4-(difluoromethyl)-6-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-6-fluoro-1H-quinolin-2-one?
The canonical SMILES for 4-(difluoromethyl)-6-fluoro-1H-quinolin-2-one is O=c1cc(C(F)F)c2cc(F)ccc2[nH]1.
What is the InChIKey of 4-(difluoromethyl)-6-fluoro-1H-quinolin-2-one?
The InChIKey is DTHFIDMEQGVKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO/c11-5-1-2-8-6(3-5)7(10(12)13)4-9(15)14-8/h1-4,10H,(H,14,15).
What are the key properties of 4-(difluoromethyl)-6-fluoro-1H-quinolin-2-one?
4-(difluoromethyl)-6-fluoro-1H-quinolin-2-one has a molecular weight of 213.16 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 112757555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).