6-chloro-8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol

C13H15ClFNO2 — CID 82188651

IUPAC6-chloro-8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol
SMILESOC1COc2c(F)cc(Cl)cc2C1N1CCCC1
InChIInChI=1S/C13H15ClFNO2/c14-8-5-9-12(16-3-1-2-4-16)11(17)7-18-13(9)10(15)6-8/h5-6,11-12,17H,1-4,7H2
InChIKeyOECSVJRZQPIZAV-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.37
Rot. Bonds1

About 6-chloro-8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol

6-chloro-8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol (PubChem CID 82188651) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 6-chloro-8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name6-chloro-8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol
PubChem CID82188651
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name6-chloro-8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol
SMILESOC1COc2c(F)cc(Cl)cc2C1N1CCCC1
InChIInChI=1S/C13H15ClFNO2/c14-8-5-9-12(16-3-1-2-4-16)11(17)7-18-13(9)10(15)6-8/h5-6,11-12,17H,1-4,7H2
InChIKeyOECSVJRZQPIZAV-UHFFFAOYSA-N
XLogP2.37
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of 6-chloro-8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol (CID 82188651) is 6-chloro-8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for 6-chloro-8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for 6-chloro-8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol is OC1COc2c(F)cc(Cl)cc2C1N1CCCC1.
What is the InChIKey of 6-chloro-8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is OECSVJRZQPIZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c14-8-5-9-12(16-3-1-2-4-16)11(17)7-18-13(9)10(15)6-8/h5-6,11-12,17H,1-4,7H2.
What are the key properties of 6-chloro-8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol?
6-chloro-8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 271.72 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-fluoro-4-pyrrolidin-1-yl-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 82188651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).