1-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-ol

C13H15ClFNO — CID 144577159

IUPAC1-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-ol
SMILESOC1CCN(C2Cc3cc(Cl)cc(F)c3C2)C1
InChIInChI=1S/C13H15ClFNO/c14-9-3-8-4-10(6-12(8)13(15)5-9)16-2-1-11(17)7-16/h3,5,10-11,17H,1-2,4,6-7H2
InChIKeyWYJBBPIYXMPHCB-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.01
Rot. Bonds1

About 1-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-ol

1-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-ol (PubChem CID 144577159) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 1-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-ol
PubChem CID144577159
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name1-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-ol
SMILESOC1CCN(C2Cc3cc(Cl)cc(F)c3C2)C1
InChIInChI=1S/C13H15ClFNO/c14-9-3-8-4-10(6-12(8)13(15)5-9)16-2-1-11(17)7-16/h3,5,10-11,17H,1-2,4,6-7H2
InChIKeyWYJBBPIYXMPHCB-UHFFFAOYSA-N
XLogP2.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-ol (CID 144577159) is 1-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-ol is OC1CCN(C2Cc3cc(Cl)cc(F)c3C2)C1.
What is the InChIKey of 1-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-ol?
The InChIKey is WYJBBPIYXMPHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c14-9-3-8-4-10(6-12(8)13(15)5-9)16-2-1-11(17)7-16/h3,5,10-11,17H,1-2,4,6-7H2.
What are the key properties of 1-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-ol?
1-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-ol has a molecular weight of 255.72 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 144577159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).