3-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol

C10H11ClFNO — CID 141424039

IUPAC3-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol
SMILESOc1ccc(F)c(Cl)c1[C@H]1CCCN1
InChIInChI=1S/C10H11ClFNO/c11-10-6(12)3-4-8(14)9(10)7-2-1-5-13-7/h3-4,7,13-14H,1-2,5H2/t7-/m1/s1
InChIKeyLEMQMKZRPPTDLP-SSDOTTSWSA-N
MW215.65 g/mol
LogP2.61
Rot. Bonds1

About 3-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol

3-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol (PubChem CID 141424039) has the molecular formula C10H11ClFNO and a molecular weight of 215.65 g/mol. Its IUPAC name is 3-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name3-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol
PubChem CID141424039
Molecular FormulaC10H11ClFNO
Molecular Weight215.65 g/mol
Exact Mass215.05
IUPAC Name3-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol
SMILESOc1ccc(F)c(Cl)c1[C@H]1CCCN1
InChIInChI=1S/C10H11ClFNO/c11-10-6(12)3-4-8(14)9(10)7-2-1-5-13-7/h3-4,7,13-14H,1-2,5H2/t7-/m1/s1
InChIKeyLEMQMKZRPPTDLP-SSDOTTSWSA-N
XLogP2.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.65
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol?
The IUPAC name of 3-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol (CID 141424039) is 3-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 3-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 3-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol is Oc1ccc(F)c(Cl)c1[C@H]1CCCN1.
What is the InChIKey of 3-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol?
The InChIKey is LEMQMKZRPPTDLP-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-10-6(12)3-4-8(14)9(10)7-2-1-5-13-7/h3-4,7,13-14H,1-2,5H2/t7-/m1/s1.
What are the key properties of 3-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol?
3-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol has a molecular weight of 215.65 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 141424039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).