3-(3-chloro-2-fluorophenyl)pyrrolidin-3-ol

C10H11ClFNO — CID 68515744

IUPAC3-(3-chloro-2-fluorophenyl)pyrrolidin-3-ol
SMILESOC1(c2cccc(Cl)c2F)CCNC1
InChIInChI=1S/C10H11ClFNO/c11-8-3-1-2-7(9(8)12)10(14)4-5-13-6-10/h1-3,13-14H,4-6H2
InChIKeyOIDNHAMLAAHURI-UHFFFAOYSA-N
MW215.66 g/mol
LogP1.66
Rot. Bonds1

About 3-(3-chloro-2-fluorophenyl)pyrrolidin-3-ol

3-(3-chloro-2-fluorophenyl)pyrrolidin-3-ol (PubChem CID 68515744) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)pyrrolidin-3-ol
PubChem CID68515744
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name3-(3-chloro-2-fluorophenyl)pyrrolidin-3-ol
SMILESOC1(c2cccc(Cl)c2F)CCNC1
InChIInChI=1S/C10H11ClFNO/c11-8-3-1-2-7(9(8)12)10(14)4-5-13-6-10/h1-3,13-14H,4-6H2
InChIKeyOIDNHAMLAAHURI-UHFFFAOYSA-N
XLogP1.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)pyrrolidin-3-ol?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)pyrrolidin-3-ol (CID 68515744) is 3-(3-chloro-2-fluorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)pyrrolidin-3-ol is OC1(c2cccc(Cl)c2F)CCNC1.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)pyrrolidin-3-ol?
The InChIKey is OIDNHAMLAAHURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-8-3-1-2-7(9(8)12)10(14)4-5-13-6-10/h1-3,13-14H,4-6H2.
What are the key properties of 3-(3-chloro-2-fluorophenyl)pyrrolidin-3-ol?
3-(3-chloro-2-fluorophenyl)pyrrolidin-3-ol has a molecular weight of 215.66 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 68515744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).