(2S)-2-butyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline

C20H22F3N — CID 166445951

IUPAC(2S)-2-butyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline
SMILESCCCC[C@H]1CCc2ccccc2N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H22F3N/c1-2-3-7-17-12-9-15-6-4-5-8-19(15)24(17)18-13-10-16(11-14-18)20(21,22)23/h4-6,8,10-11,13-14,17H,2-3,7,9,12H2,1H3/t17-/m0/s1
InChIKeyXPAZGGDZYBJCTM-KRWDZBQOSA-N
MW333.40 g/mol
LogP6.35
Rot. Bonds4

About (2S)-2-butyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline

(2S)-2-butyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline (PubChem CID 166445951) has the molecular formula C20H22F3N and a molecular weight of 333.40 g/mol. Its IUPAC name is (2S)-2-butyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(2S)-2-butyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline
PubChem CID166445951
Molecular FormulaC20H22F3N
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name(2S)-2-butyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline
SMILESCCCC[C@H]1CCc2ccccc2N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H22F3N/c1-2-3-7-17-12-9-15-6-4-5-8-19(15)24(17)18-13-10-16(11-14-18)20(21,22)23/h4-6,8,10-11,13-14,17H,2-3,7,9,12H2,1H3/t17-/m0/s1
InChIKeyXPAZGGDZYBJCTM-KRWDZBQOSA-N
XLogP6.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.40
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-butyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of (2S)-2-butyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline (CID 166445951) is (2S)-2-butyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (2S)-2-butyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for (2S)-2-butyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline is CCCC[C@H]1CCc2ccccc2N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-2-butyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline?
The InChIKey is XPAZGGDZYBJCTM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22F3N/c1-2-3-7-17-12-9-15-6-4-5-8-19(15)24(17)18-13-10-16(11-14-18)20(21,22)23/h4-6,8,10-11,13-14,17H,2-3,7,9,12H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-butyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline?
(2S)-2-butyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline has a molecular weight of 333.40 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-butyl-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 166445951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).