1-[8-(3,5-difluorophenyl)quinolin-7-yl]ethanol

C17H13F2NO — CID 67246913

IUPAC1-[8-(3,5-difluorophenyl)quinolin-7-yl]ethanol
SMILESCC(O)c1ccc2cccnc2c1-c1cc(F)cc(F)c1
InChIInChI=1S/C17H13F2NO/c1-10(21)15-5-4-11-3-2-6-20-17(11)16(15)12-7-13(18)9-14(19)8-12/h2-10,21H,1H3
InChIKeyBATHSTVRNXIRRN-UHFFFAOYSA-N
MW285.29 g/mol
LogP4.23
Rot. Bonds2

About 1-[8-(3,5-difluorophenyl)quinolin-7-yl]ethanol

1-[8-(3,5-difluorophenyl)quinolin-7-yl]ethanol (PubChem CID 67246913) has the molecular formula C17H13F2NO and a molecular weight of 285.29 g/mol. Its IUPAC name is 1-[8-(3,5-difluorophenyl)quinolin-7-yl]ethanol.

Molecular Properties

Compound Name1-[8-(3,5-difluorophenyl)quinolin-7-yl]ethanol
PubChem CID67246913
Molecular FormulaC17H13F2NO
Molecular Weight285.29 g/mol
Exact Mass285.10
IUPAC Name1-[8-(3,5-difluorophenyl)quinolin-7-yl]ethanol
SMILESCC(O)c1ccc2cccnc2c1-c1cc(F)cc(F)c1
InChIInChI=1S/C17H13F2NO/c1-10(21)15-5-4-11-3-2-6-20-17(11)16(15)12-7-13(18)9-14(19)8-12/h2-10,21H,1H3
InChIKeyBATHSTVRNXIRRN-UHFFFAOYSA-N
XLogP4.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(3,5-difluorophenyl)quinolin-7-yl]ethanol?
The IUPAC name of 1-[8-(3,5-difluorophenyl)quinolin-7-yl]ethanol (CID 67246913) is 1-[8-(3,5-difluorophenyl)quinolin-7-yl]ethanol.
What is the SMILES notation for 1-[8-(3,5-difluorophenyl)quinolin-7-yl]ethanol?
The canonical SMILES for 1-[8-(3,5-difluorophenyl)quinolin-7-yl]ethanol is CC(O)c1ccc2cccnc2c1-c1cc(F)cc(F)c1.
What is the InChIKey of 1-[8-(3,5-difluorophenyl)quinolin-7-yl]ethanol?
The InChIKey is BATHSTVRNXIRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2NO/c1-10(21)15-5-4-11-3-2-6-20-17(11)16(15)12-7-13(18)9-14(19)8-12/h2-10,21H,1H3.
What are the key properties of 1-[8-(3,5-difluorophenyl)quinolin-7-yl]ethanol?
1-[8-(3,5-difluorophenyl)quinolin-7-yl]ethanol has a molecular weight of 285.29 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(3,5-difluorophenyl)quinolin-7-yl]ethanol is sourced from PubChem (CID 67246913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).