1-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-5-ol

C16H14F3NO2 — CID 90909882

IUPAC1-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-5-ol
SMILESOc1cccc2c1CCCN2c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)22-12-8-6-11(7-9-12)20-10-2-3-13-14(20)4-1-5-15(13)21/h1,4-9,21H,2-3,10H2
InChIKeyQIRCFKVZSXWOHG-UHFFFAOYSA-N
MW309.29 g/mol
LogP4.38
Rot. Bonds2

About 1-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-5-ol

1-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-5-ol (PubChem CID 90909882) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-5-ol.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-5-ol
PubChem CID90909882
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name1-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-5-ol
SMILESOc1cccc2c1CCCN2c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO2/c17-16(18,19)22-12-8-6-11(7-9-12)20-10-2-3-13-14(20)4-1-5-15(13)21/h1,4-9,21H,2-3,10H2
InChIKeyQIRCFKVZSXWOHG-UHFFFAOYSA-N
XLogP4.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-5-ol?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-5-ol (CID 90909882) is 1-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-5-ol.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-5-ol?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-5-ol is Oc1cccc2c1CCCN2c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-5-ol?
The InChIKey is QIRCFKVZSXWOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c17-16(18,19)22-12-8-6-11(7-9-12)20-10-2-3-13-14(20)4-1-5-15(13)21/h1,4-9,21H,2-3,10H2.
What are the key properties of 1-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-5-ol?
1-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-5-ol has a molecular weight of 309.29 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-5-ol is sourced from PubChem (CID 90909882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).