2-(3-bromophenyl)-4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline

C18H17BrF3N — CID 67292122

IUPAC2-(3-bromophenyl)-4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline
SMILESCC1(C)CC(c2cccc(Br)c2)Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H17BrF3N/c1-17(2)10-16(11-4-3-5-13(19)8-11)23-15-7-6-12(9-14(15)17)18(20,21)22/h3-9,16,23H,10H2,1-2H3
InChIKeyRMUYWTAVQCEPSH-UHFFFAOYSA-N
MW384.24 g/mol
LogP6.30
Rot. Bonds1

About 2-(3-bromophenyl)-4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline

2-(3-bromophenyl)-4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline (PubChem CID 67292122) has the molecular formula C18H17BrF3N and a molecular weight of 384.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name2-(3-bromophenyl)-4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline
PubChem CID67292122
Molecular FormulaC18H17BrF3N
Molecular Weight384.24 g/mol
Exact Mass383.05
IUPAC Name2-(3-bromophenyl)-4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline
SMILESCC1(C)CC(c2cccc(Br)c2)Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C18H17BrF3N/c1-17(2)10-16(11-4-3-5-13(19)8-11)23-15-7-6-12(9-14(15)17)18(20,21)22/h3-9,16,23H,10H2,1-2H3
InChIKeyRMUYWTAVQCEPSH-UHFFFAOYSA-N
XLogP6.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.24
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline?
The IUPAC name of 2-(3-bromophenyl)-4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline (CID 67292122) is 2-(3-bromophenyl)-4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline.
What is the SMILES notation for 2-(3-bromophenyl)-4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline?
The canonical SMILES for 2-(3-bromophenyl)-4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline is CC1(C)CC(c2cccc(Br)c2)Nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-(3-bromophenyl)-4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline?
The InChIKey is RMUYWTAVQCEPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF3N/c1-17(2)10-16(11-4-3-5-13(19)8-11)23-15-7-6-12(9-14(15)17)18(20,21)22/h3-9,16,23H,10H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline?
2-(3-bromophenyl)-4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline has a molecular weight of 384.24 g/mol, XLogP of 6.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 67292122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).