(2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

C16H15F2NO — CID 79739199

IUPAC(2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESOC(c1c(F)cccc1F)C1CCCc2cccnc21
InChIInChI=1S/C16H15F2NO/c17-12-7-2-8-13(18)14(12)16(20)11-6-1-4-10-5-3-9-19-15(10)11/h2-3,5,7-9,11,16,20H,1,4,6H2
InChIKeyBIPYITLNYXYTIU-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.51
Rot. Bonds2

About (2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol

(2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (PubChem CID 79739199) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
PubChem CID79739199
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name(2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
SMILESOC(c1c(F)cccc1F)C1CCCc2cccnc21
InChIInChI=1S/C16H15F2NO/c17-12-7-2-8-13(18)14(12)16(20)11-6-1-4-10-5-3-9-19-15(10)11/h2-3,5,7-9,11,16,20H,1,4,6H2
InChIKeyBIPYITLNYXYTIU-UHFFFAOYSA-N
XLogP3.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
(3-aminophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 106695855
(5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 105111410
(3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79723755
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
4-[hydroxy(5,6,7,8-tetrahydroquinolin-8-yl)methyl]benzonitrile
CID 115481009
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol
CID 79739398
(2,5-dichlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 115818219
(2-bromo-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007461
(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79721633
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
2-(2,3-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
CID 115819425

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The IUPAC name of (2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol (CID 79739199) is (2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol.
What is the SMILES notation for (2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The canonical SMILES for (2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is OC(c1c(F)cccc1F)C1CCCc2cccnc21.
What is the InChIKey of (2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
The InChIKey is BIPYITLNYXYTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c17-12-7-2-8-13(18)14(12)16(20)11-6-1-4-10-5-3-9-19-15(10)11/h2-3,5,7-9,11,16,20H,1,4,6H2.
What are the key properties of (2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol?
(2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol has a molecular weight of 275.30 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol is sourced from PubChem (CID 79739199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).