3-(2-chloro-4-fluorophenyl)-1-hydroxypyrrolidine

C10H11ClFNO — CID 67175533

IUPAC3-(2-chloro-4-fluorophenyl)-1-hydroxypyrrolidine
SMILESON1CCC(c2ccc(F)cc2Cl)C1
InChIInChI=1S/C10H11ClFNO/c11-10-5-8(12)1-2-9(10)7-3-4-13(14)6-7/h1-2,5,7,14H,3-4,6H2
InChIKeyJWEHWMGSBIMXGT-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.66
Rot. Bonds1

About 3-(2-chloro-4-fluorophenyl)-1-hydroxypyrrolidine

3-(2-chloro-4-fluorophenyl)-1-hydroxypyrrolidine (PubChem CID 67175533) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-1-hydroxypyrrolidine.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-1-hydroxypyrrolidine
PubChem CID67175533
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name3-(2-chloro-4-fluorophenyl)-1-hydroxypyrrolidine
SMILESON1CCC(c2ccc(F)cc2Cl)C1
InChIInChI=1S/C10H11ClFNO/c11-10-5-8(12)1-2-9(10)7-3-4-13(14)6-7/h1-2,5,7,14H,3-4,6H2
InChIKeyJWEHWMGSBIMXGT-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 112756457
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CID 42956328
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CID 3304465
CID 3304465
CID 16679415
CID 16679415
CID 22197528
CID 22197528
CID 58458315
CID 58458315
CID 66806906
CID 66806906
CID 67173561
CID 67173561
CID 67173830
CID 67173830
CID 67173870
CID 67173870
CID 67173873
CID 67173873

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-1-hydroxypyrrolidine?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-1-hydroxypyrrolidine (CID 67175533) is 3-(2-chloro-4-fluorophenyl)-1-hydroxypyrrolidine.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-1-hydroxypyrrolidine?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-1-hydroxypyrrolidine is ON1CCC(c2ccc(F)cc2Cl)C1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-1-hydroxypyrrolidine?
The InChIKey is JWEHWMGSBIMXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-10-5-8(12)1-2-9(10)7-3-4-13(14)6-7/h1-2,5,7,14H,3-4,6H2.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-1-hydroxypyrrolidine?
3-(2-chloro-4-fluorophenyl)-1-hydroxypyrrolidine has a molecular weight of 215.66 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-1-hydroxypyrrolidine is sourced from PubChem (CID 67175533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).