6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1H-quinolin-2-one

C14H10F8N2O — CID 23648061

IUPAC6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)F)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C14H10F8N2O/c15-12(16)9-4-11(25)23-10-2-1-7(3-8(9)10)24(5-13(17,18)19)6-14(20,21)22/h1-4,12H,5-6H2,(H,23,25)
InChIKeyJGNFLKAWLFBPNJ-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.40
Rot. Bonds4

About 6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1H-quinolin-2-one

6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1H-quinolin-2-one (PubChem CID 23648061) has the molecular formula C14H10F8N2O and a molecular weight of 374.23 g/mol. Its IUPAC name is 6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1H-quinolin-2-one
PubChem CID23648061
Molecular FormulaC14H10F8N2O
Molecular Weight374.23 g/mol
Exact Mass374.07
IUPAC Name6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)F)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1
InChIInChI=1S/C14H10F8N2O/c15-12(16)9-4-11(25)23-10-2-1-7(3-8(9)10)24(5-13(17,18)19)6-14(20,21)22/h1-4,12H,5-6H2,(H,23,25)
InChIKeyJGNFLKAWLFBPNJ-UHFFFAOYSA-N
XLogP4.40
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1H-quinolin-2-one with MolForge

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Related Compounds

Lgd 2226
CID 11560224
4-Methylquinolin-2-ol
CID 69088
N-[2-(trifluoromethyl)phenyl]acetamide
CID 67655
Acetamide, N-(3-(trifluoromethyl)phenyl)-
CID 9595
6-[Bis(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9820051
6-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9884851
6-[Ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9927792
6-[Bis(2,2,2-trifluoroethyl)amino]-4-methyl-1,2-dihydroquinolin-2-one
CID 22279296
N-(2-Hydroxy-quinolin-4-ylmethyl)-N-phenyl-propionamide
CID 943545
Acetanilide, 2,2,2-trifluoro-3'-(trifluoromethyl)-
CID 101316
6-Amino-1,3-dimethyl-1,2-dihydroquinolin-2-one
CID 83636605
N-(4-Amino-3-(trifluoromethyl)phenyl)acetamide
CID 16227548

Frequently Asked Questions

What is the IUPAC name of 6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1H-quinolin-2-one (CID 23648061) is 6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)F)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1.
What is the InChIKey of 6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1H-quinolin-2-one?
The InChIKey is JGNFLKAWLFBPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F8N2O/c15-12(16)9-4-11(25)23-10-2-1-7(3-8(9)10)24(5-13(17,18)19)6-14(20,21)22/h1-4,12H,5-6H2,(H,23,25).
What are the key properties of 6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1H-quinolin-2-one?
6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1H-quinolin-2-one has a molecular weight of 374.23 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 23648061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).