5-(2,3-difluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol

C11H11F2NO — CID 165459758

IUPAC5-(2,3-difluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol
SMILESOC1C=C(c2cccc(F)c2F)CNC1
InChIInChI=1S/C11H11F2NO/c12-10-3-1-2-9(11(10)13)7-4-8(15)6-14-5-7/h1-4,8,14-15H,5-6H2
InChIKeyKTWONUPVYOYUAK-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.31
Rot. Bonds1

About 5-(2,3-difluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol

5-(2,3-difluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol (PubChem CID 165459758) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol
PubChem CID165459758
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name5-(2,3-difluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol
SMILESOC1C=C(c2cccc(F)c2F)CNC1
InChIInChI=1S/C11H11F2NO/c12-10-3-1-2-9(11(10)13)7-4-8(15)6-14-5-7/h1-4,8,14-15H,5-6H2
InChIKeyKTWONUPVYOYUAK-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4348
N-Phenethylethanolamine
CID 17826
3-(Benzylamino)-1,1,1-trifluoropropan-2-ol
CID 3787794
1,1,1-Trifluoro-3-[[[2-(trifluoromethyl)phenyl]methyl]amino]-2-propanol
CID 2783073
1-(Benzylamino)propan-2-ol
CID 97731
2-{[(4-Fluorophenyl)methyl]amino}ethan-1-ol
CID 3614545
1-{[2-(Trifluoromethyl)benzyl]amino}-2-propanol hydrochloride
CID 2966559
1-(Phenylmethyl)-1,2,3,6-tetrahydropyridin-3-ol
CID 6421550
2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol
CID 11404
2-Propanol, 1-(alpha,alpha-dimethyl-beta-phenethylamino)-
CID 89515
2-((2-Fluorobenzyl)Amino)Ethanol
CID 4719266
1-(4-Fluorophenyl)-2-(methylamino)ethan-1-ol
CID 21943407

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol?
The IUPAC name of 5-(2,3-difluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol (CID 165459758) is 5-(2,3-difluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol.
What is the SMILES notation for 5-(2,3-difluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol?
The canonical SMILES for 5-(2,3-difluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol is OC1C=C(c2cccc(F)c2F)CNC1.
What is the InChIKey of 5-(2,3-difluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol?
The InChIKey is KTWONUPVYOYUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO/c12-10-3-1-2-9(11(10)13)7-4-8(15)6-14-5-7/h1-4,8,14-15H,5-6H2.
What are the key properties of 5-(2,3-difluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol?
5-(2,3-difluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol has a molecular weight of 211.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-1,2,3,6-tetrahydropyridin-3-ol is sourced from PubChem (CID 165459758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).