1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline

C15H20F3NO — CID 139243632

IUPAC1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline
SMILESCC1C(OCC(F)(F)F)c2ccccc2N(C)C1(C)C
InChIInChI=1S/C15H20F3NO/c1-10-13(20-9-15(16,17)18)11-7-5-6-8-12(11)19(4)14(10,2)3/h5-8,10,13H,9H2,1-4H3
InChIKeyYCHFQVYVVYDRQB-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.17
Rot. Bonds2

About 1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline

1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline (PubChem CID 139243632) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline.

Molecular Properties

Compound Name1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline
PubChem CID139243632
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline
SMILESCC1C(OCC(F)(F)F)c2ccccc2N(C)C1(C)C
InChIInChI=1S/C15H20F3NO/c1-10-13(20-9-15(16,17)18)11-7-5-6-8-12(11)19(4)14(10,2)3/h5-8,10,13H,9H2,1-4H3
InChIKeyYCHFQVYVVYDRQB-UHFFFAOYSA-N
XLogP4.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline?
The IUPAC name of 1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline (CID 139243632) is 1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline.
What is the SMILES notation for 1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline?
The canonical SMILES for 1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline is CC1C(OCC(F)(F)F)c2ccccc2N(C)C1(C)C.
What is the InChIKey of 1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline?
The InChIKey is YCHFQVYVVYDRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-10-13(20-9-15(16,17)18)11-7-5-6-8-12(11)19(4)14(10,2)3/h5-8,10,13H,9H2,1-4H3.
What are the key properties of 1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline?
1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline has a molecular weight of 287.32 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline is sourced from PubChem (CID 139243632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).