1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol

C11H8ClF2NO — CID 112618208

IUPAC1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
SMILESOC(c1ccc(Cl)c2cccnc12)C(F)F
InChIInChI=1S/C11H8ClF2NO/c12-8-4-3-7(10(16)11(13)14)9-6(8)2-1-5-15-9/h1-5,10-11,16H
InChIKeyFELPBTHBATUMPW-UHFFFAOYSA-N
MW243.64 g/mol
LogP3.19
Rot. Bonds2

About 1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol

1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol (PubChem CID 112618208) has the molecular formula C11H8ClF2NO and a molecular weight of 243.64 g/mol. Its IUPAC name is 1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
PubChem CID112618208
Molecular FormulaC11H8ClF2NO
Molecular Weight243.64 g/mol
Exact Mass243.03
IUPAC Name1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
SMILESOC(c1ccc(Cl)c2cccnc12)C(F)F
InChIInChI=1S/C11H8ClF2NO/c12-8-4-3-7(10(16)11(13)14)9-6(8)2-1-5-15-9/h1-5,10-11,16H
InChIKeyFELPBTHBATUMPW-UHFFFAOYSA-N
XLogP3.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.64
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol
CID 105394021
methyl 3-(5-chloroquinolin-8-yl)-3-hydroxy-2-methylpropanoate
CID 112618441
1-(5-chloroquinolin-8-yl)-2-phenylethanol
CID 112618238
2-(3-chlorophenyl)-1-(5-chloroquinolin-8-yl)ethanol
CID 115960037
(5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol
CID 114685420
(5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol
CID 106651543
N-tert-butyl-2-chloro-2-(5-chloroquinolin-8-yl)acetamide
CID 115960338
(2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol
CID 115960046
3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103766069
CID 172791001
CID 172791001
1-(5-chloroquinolin-8-yl)-2,2,2-trifluoroethanesulfonamide
CID 114827717
potassium;5-chloroquinolin-8-ol;hydride
CID 174478922

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol?
The IUPAC name of 1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol (CID 112618208) is 1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol?
The canonical SMILES for 1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol is OC(c1ccc(Cl)c2cccnc12)C(F)F.
What is the InChIKey of 1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol?
The InChIKey is FELPBTHBATUMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2NO/c12-8-4-3-7(10(16)11(13)14)9-6(8)2-1-5-15-9/h1-5,10-11,16H.
What are the key properties of 1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol?
1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol has a molecular weight of 243.64 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol is sourced from PubChem (CID 112618208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).