(1R)-1-(2-chloro-7-fluoro-7,8-dihydroquinolin-3-yl)ethanol

C11H11ClFNO — CID 134445775

IUPAC(1R)-1-(2-chloro-7-fluoro-7,8-dihydroquinolin-3-yl)ethanol
SMILESC[C@@H](O)c1cc2c(nc1Cl)CC(F)C=C2
InChIInChI=1S/C11H11ClFNO/c1-6(15)9-4-7-2-3-8(13)5-10(7)14-11(9)12/h2-4,6,8,15H,5H2,1H3/t6-,8?/m1/s1
InChIKeyXCNMFSRRGVRICF-XPJFZRNWSA-N
MW227.67 g/mol
LogP2.70
Rot. Bonds1

About (1R)-1-(2-chloro-7-fluoro-7,8-dihydroquinolin-3-yl)ethanol

(1R)-1-(2-chloro-7-fluoro-7,8-dihydroquinolin-3-yl)ethanol (PubChem CID 134445775) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is (1R)-1-(2-chloro-7-fluoro-7,8-dihydroquinolin-3-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-chloro-7-fluoro-7,8-dihydroquinolin-3-yl)ethanol
PubChem CID134445775
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name(1R)-1-(2-chloro-7-fluoro-7,8-dihydroquinolin-3-yl)ethanol
SMILESC[C@@H](O)c1cc2c(nc1Cl)CC(F)C=C2
InChIInChI=1S/C11H11ClFNO/c1-6(15)9-4-7-2-3-8(13)5-10(7)14-11(9)12/h2-4,6,8,15H,5H2,1H3/t6-,8?/m1/s1
InChIKeyXCNMFSRRGVRICF-XPJFZRNWSA-N
XLogP2.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloro-7-fluoro-7,8-dihydroquinolin-3-yl)ethanol?
The IUPAC name of (1R)-1-(2-chloro-7-fluoro-7,8-dihydroquinolin-3-yl)ethanol (CID 134445775) is (1R)-1-(2-chloro-7-fluoro-7,8-dihydroquinolin-3-yl)ethanol.
What is the SMILES notation for (1R)-1-(2-chloro-7-fluoro-7,8-dihydroquinolin-3-yl)ethanol?
The canonical SMILES for (1R)-1-(2-chloro-7-fluoro-7,8-dihydroquinolin-3-yl)ethanol is C[C@@H](O)c1cc2c(nc1Cl)CC(F)C=C2.
What is the InChIKey of (1R)-1-(2-chloro-7-fluoro-7,8-dihydroquinolin-3-yl)ethanol?
The InChIKey is XCNMFSRRGVRICF-XPJFZRNWSA-N. The full InChI is InChI=1S/C11H11ClFNO/c1-6(15)9-4-7-2-3-8(13)5-10(7)14-11(9)12/h2-4,6,8,15H,5H2,1H3/t6-,8?/m1/s1.
What are the key properties of (1R)-1-(2-chloro-7-fluoro-7,8-dihydroquinolin-3-yl)ethanol?
(1R)-1-(2-chloro-7-fluoro-7,8-dihydroquinolin-3-yl)ethanol has a molecular weight of 227.67 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chloro-7-fluoro-7,8-dihydroquinolin-3-yl)ethanol is sourced from PubChem (CID 134445775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).