2-(2,6-difluorophenyl)-1-quinolin-4-ylethanol

C17H13F2NO — CID 114931016

IUPAC2-(2,6-difluorophenyl)-1-quinolin-4-ylethanol
SMILESOC(Cc1c(F)cccc1F)c1ccnc2ccccc12
InChIInChI=1S/C17H13F2NO/c18-14-5-3-6-15(19)13(14)10-17(21)12-8-9-20-16-7-2-1-4-11(12)16/h1-9,17,21H,10H2
InChIKeyHAFIFPPTTFSWOM-UHFFFAOYSA-N
MW285.29 g/mol
LogP3.79
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-quinolin-4-ylethanol

2-(2,6-difluorophenyl)-1-quinolin-4-ylethanol (PubChem CID 114931016) has the molecular formula C17H13F2NO and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-quinolin-4-ylethanol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-quinolin-4-ylethanol
PubChem CID114931016
Molecular FormulaC17H13F2NO
Molecular Weight285.29 g/mol
Exact Mass285.10
IUPAC Name2-(2,6-difluorophenyl)-1-quinolin-4-ylethanol
SMILESOC(Cc1c(F)cccc1F)c1ccnc2ccccc12
InChIInChI=1S/C17H13F2NO/c18-14-5-3-6-15(19)13(14)10-17(21)12-8-9-20-16-7-2-1-4-11(12)16/h1-9,17,21H,10H2
InChIKeyHAFIFPPTTFSWOM-UHFFFAOYSA-N
XLogP3.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-fluorophenyl)-2-quinolin-4-ylethanol
CID 115812471
2-(2-methylphenyl)-1-quinolin-4-ylethanol
CID 63893794
2-pyridin-3-yl-1-quinolin-4-ylethanol
CID 104735699
2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol
CID 114552917
3-methyl-1-quinolin-4-ylpentan-1-ol
CID 65149770
(2,5-difluorophenyl)-quinolin-4-ylmethanol
CID 63893789
2-(5-ethyl-2-pyridinyl)-1-quinolin-4-ylethanol
CID 79723309
CID 160608048
CID 160608048
1-(2,3-difluorophenyl)-2-quinolin-4-ylethanamine
CID 104997384
2-(3-chlorophenyl)-1-quinolin-5-ylethanol
CID 81220656
2-amino-1-quinolin-4-ylpropane-1,3-diol
CID 66206365
2-(2-chloro-6-fluorophenyl)-1-isoquinolin-4-ylethanol
CID 63939585

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-quinolin-4-ylethanol?
The IUPAC name of 2-(2,6-difluorophenyl)-1-quinolin-4-ylethanol (CID 114931016) is 2-(2,6-difluorophenyl)-1-quinolin-4-ylethanol.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-quinolin-4-ylethanol?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-quinolin-4-ylethanol is OC(Cc1c(F)cccc1F)c1ccnc2ccccc12.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-quinolin-4-ylethanol?
The InChIKey is HAFIFPPTTFSWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO/c18-14-5-3-6-15(19)13(14)10-17(21)12-8-9-20-16-7-2-1-4-11(12)16/h1-9,17,21H,10H2.
What are the key properties of 2-(2,6-difluorophenyl)-1-quinolin-4-ylethanol?
2-(2,6-difluorophenyl)-1-quinolin-4-ylethanol has a molecular weight of 285.29 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-quinolin-4-ylethanol is sourced from PubChem (CID 114931016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).