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

C16H16F6N2O — CID 22279178

IUPAC6-[bis(2,2,2-trifluoroethyl)amino]-4-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)c1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12
InChIInChI=1S/C16H16F6N2O/c1-9(2)11-6-14(25)23-13-4-3-10(5-12(11)13)24(7-15(17,18)19)8-16(20,21)22/h3-6,9H,7-8H2,1-2H3,(H,23,25)
InChIKeyVXYMFUUOLVWDBC-UHFFFAOYSA-N
MW366.31 g/mol
LogP4.58
Rot. Bonds4

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

6-[bis(2,2,2-trifluoroethyl)amino]-4-propan-2-yl-1H-quinolin-2-one (PubChem CID 22279178) has the molecular formula C16H16F6N2O and a molecular weight of 366.31 g/mol. Its IUPAC name is 6-[bis(2,2,2-trifluoroethyl)amino]-4-propan-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[bis(2,2,2-trifluoroethyl)amino]-4-propan-2-yl-1H-quinolin-2-one
PubChem CID22279178
Molecular FormulaC16H16F6N2O
Molecular Weight366.31 g/mol
Exact Mass366.12
IUPAC Name6-[bis(2,2,2-trifluoroethyl)amino]-4-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)c1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12
InChIInChI=1S/C16H16F6N2O/c1-9(2)11-6-14(25)23-13-4-3-10(5-12(11)13)24(7-15(17,18)19)8-16(20,21)22/h3-6,9H,7-8H2,1-2H3,(H,23,25)
InChIKeyVXYMFUUOLVWDBC-UHFFFAOYSA-N
XLogP4.58
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(2,2,2-trifluoroethyl)amino]-4-propan-2-yl-1H-quinolin-2-one?
The IUPAC name of 6-[bis(2,2,2-trifluoroethyl)amino]-4-propan-2-yl-1H-quinolin-2-one (CID 22279178) is 6-[bis(2,2,2-trifluoroethyl)amino]-4-propan-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 6-[bis(2,2,2-trifluoroethyl)amino]-4-propan-2-yl-1H-quinolin-2-one?
The canonical SMILES for 6-[bis(2,2,2-trifluoroethyl)amino]-4-propan-2-yl-1H-quinolin-2-one is CC(C)c1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12.
What is the InChIKey of 6-[bis(2,2,2-trifluoroethyl)amino]-4-propan-2-yl-1H-quinolin-2-one?
The InChIKey is VXYMFUUOLVWDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F6N2O/c1-9(2)11-6-14(25)23-13-4-3-10(5-12(11)13)24(7-15(17,18)19)8-16(20,21)22/h3-6,9H,7-8H2,1-2H3,(H,23,25).
What are the key properties of 6-[bis(2,2,2-trifluoroethyl)amino]-4-propan-2-yl-1H-quinolin-2-one?
6-[bis(2,2,2-trifluoroethyl)amino]-4-propan-2-yl-1H-quinolin-2-one has a molecular weight of 366.31 g/mol, XLogP of 4.58, 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-propan-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 22279178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).