1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-2-ol

C17H16F3NO — CID 173195256

IUPAC1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-2-ol
SMILESOC1CCc2ccccc2N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO/c18-17(19,20)14-8-5-12(6-9-14)11-21-15-4-2-1-3-13(15)7-10-16(21)22/h1-6,8-9,16,22H,7,10-11H2
InChIKeyMUFRNFZTNAMYQG-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.98
Rot. Bonds2

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

1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-2-ol (PubChem CID 173195256) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-2-ol.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-2-ol
PubChem CID173195256
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-2-ol
SMILESOC1CCc2ccccc2N1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H16F3NO/c18-17(19,20)14-8-5-12(6-9-14)11-21-15-4-2-1-3-13(15)7-10-16(21)22/h1-6,8-9,16,22H,7,10-11H2
InChIKeyMUFRNFZTNAMYQG-UHFFFAOYSA-N
XLogP3.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-2-ol?
The IUPAC name of 1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-2-ol (CID 173195256) is 1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-2-ol.
What is the SMILES notation for 1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-2-ol?
The canonical SMILES for 1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-2-ol is OC1CCc2ccccc2N1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-2-ol?
The InChIKey is MUFRNFZTNAMYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c18-17(19,20)14-8-5-12(6-9-14)11-21-15-4-2-1-3-13(15)7-10-16(21)22/h1-6,8-9,16,22H,7,10-11H2.
What are the key properties of 1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-2-ol?
1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-2-ol has a molecular weight of 307.32 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-2-ol is sourced from PubChem (CID 173195256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).