3-(2-propan-2-ylphenyl)-8-(trifluoromethyl)quinoline

C19H16F3N — CID 141120013

IUPAC3-(2-propan-2-ylphenyl)-8-(trifluoromethyl)quinoline
SMILESCC(C)c1ccccc1-c1cnc2c(C(F)(F)F)cccc2c1
InChIInChI=1S/C19H16F3N/c1-12(2)15-7-3-4-8-16(15)14-10-13-6-5-9-17(19(20,21)22)18(13)23-11-14/h3-12H,1-2H3
InChIKeyUYDARBMNFHNLCA-UHFFFAOYSA-N
MW315.34 g/mol
LogP6.04
Rot. Bonds2

About 3-(2-propan-2-ylphenyl)-8-(trifluoromethyl)quinoline

3-(2-propan-2-ylphenyl)-8-(trifluoromethyl)quinoline (PubChem CID 141120013) has the molecular formula C19H16F3N and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-(2-propan-2-ylphenyl)-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name3-(2-propan-2-ylphenyl)-8-(trifluoromethyl)quinoline
PubChem CID141120013
Molecular FormulaC19H16F3N
Molecular Weight315.34 g/mol
Exact Mass315.12
IUPAC Name3-(2-propan-2-ylphenyl)-8-(trifluoromethyl)quinoline
SMILESCC(C)c1ccccc1-c1cnc2c(C(F)(F)F)cccc2c1
InChIInChI=1S/C19H16F3N/c1-12(2)15-7-3-4-8-16(15)14-10-13-6-5-9-17(19(20,21)22)18(13)23-11-14/h3-12H,1-2H3
InChIKeyUYDARBMNFHNLCA-UHFFFAOYSA-N
XLogP6.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.34
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-propan-2-ylphenyl)-2-(trifluoromethyl)aniline
CID 175663849
N-methyl-3-propan-2-yl-8-(trifluoromethyl)quinolin-2-amine
CID 63232729
3-[3-propan-2-yl-8-(trifluoromethyl)quinolin-4-yl]phenol
CID 58046084
2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine
CID 145031967
8-propan-2-yl-3-(trifluoromethyl)isoquinoline
CID 176986033
3,6-bis[3,5-bis(2-propan-2-ylphenyl)phenyl]-9-[2-(trifluoromethyl)phenyl]carbazole
CID 169284860
2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine
CID 118815216
5-[5-[8-(trifluoromethyl)quinolin-3-yl]thiophen-2-yl]-2H-triazol-4-amine
CID 170148108
4-propan-2-ylacridine
CID 87209750
4-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzaldehyde
CID 175663857
2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine
CID 134624057
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylphenyl)-8-(trifluoromethyl)quinoline?
The IUPAC name of 3-(2-propan-2-ylphenyl)-8-(trifluoromethyl)quinoline (CID 141120013) is 3-(2-propan-2-ylphenyl)-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 3-(2-propan-2-ylphenyl)-8-(trifluoromethyl)quinoline?
The canonical SMILES for 3-(2-propan-2-ylphenyl)-8-(trifluoromethyl)quinoline is CC(C)c1ccccc1-c1cnc2c(C(F)(F)F)cccc2c1.
What is the InChIKey of 3-(2-propan-2-ylphenyl)-8-(trifluoromethyl)quinoline?
The InChIKey is UYDARBMNFHNLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N/c1-12(2)15-7-3-4-8-16(15)14-10-13-6-5-9-17(19(20,21)22)18(13)23-11-14/h3-12H,1-2H3.
What are the key properties of 3-(2-propan-2-ylphenyl)-8-(trifluoromethyl)quinoline?
3-(2-propan-2-ylphenyl)-8-(trifluoromethyl)quinoline has a molecular weight of 315.34 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylphenyl)-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 141120013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).