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

C10H12FNO — CID 66518250

IUPAC2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenol
SMILESOc1ccc([C@H]2CCCN2)cc1F
InChIInChI=1S/C10H12FNO/c11-8-6-7(3-4-10(8)13)9-2-1-5-12-9/h3-4,6,9,12-13H,1-2,5H2/t9-/m1/s1
InChIKeyYEHUSNCESNOVPH-SECBINFHSA-N
MW181.21 g/mol
LogP1.96
Rot. Bonds1

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

2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenol (PubChem CID 66518250) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenol
PubChem CID66518250
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenol
SMILESOc1ccc([C@H]2CCCN2)cc1F
InChIInChI=1S/C10H12FNO/c11-8-6-7(3-4-10(8)13)9-2-1-5-12-9/h3-4,6,9,12-13H,1-2,5H2/t9-/m1/s1
InChIKeyYEHUSNCESNOVPH-SECBINFHSA-N
XLogP1.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenol?
The IUPAC name of 2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenol (CID 66518250) is 2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenol is Oc1ccc([C@H]2CCCN2)cc1F.
What is the InChIKey of 2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenol?
The InChIKey is YEHUSNCESNOVPH-SECBINFHSA-N. The full InChI is InChI=1S/C10H12FNO/c11-8-6-7(3-4-10(8)13)9-2-1-5-12-9/h3-4,6,9,12-13H,1-2,5H2/t9-/m1/s1.
What are the key properties of 2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenol?
2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenol has a molecular weight of 181.21 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2R)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 66518250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).