4-fluoro-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]phenol;hydrobromide

C10H12BrF2NO — CID 153334918

IUPAC4-fluoro-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]phenol;hydrobromide
SMILESBr.Oc1ccc(F)cc1[C@H]1C[C@H](F)CN1
InChIInChI=1S/C10H11F2NO.BrH/c11-6-1-2-10(14)8(3-6)9-4-7(12)5-13-9;/h1-3,7,9,13-14H,4-5H2;1H/t7-,9+;/m0./s1
InChIKeyJVQYDGXNBZAHIM-DKXTVVGFSA-N
MW280.11 g/mol
LogP2.48
Rot. Bonds1

About 4-fluoro-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]phenol;hydrobromide

4-fluoro-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]phenol;hydrobromide (PubChem CID 153334918) has the molecular formula C10H12BrF2NO and a molecular weight of 280.11 g/mol. Its IUPAC name is 4-fluoro-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]phenol;hydrobromide.

Molecular Properties

Compound Name4-fluoro-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]phenol;hydrobromide
PubChem CID153334918
Molecular FormulaC10H12BrF2NO
Molecular Weight280.11 g/mol
Exact Mass279.01
IUPAC Name4-fluoro-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]phenol;hydrobromide
SMILESBr.Oc1ccc(F)cc1[C@H]1C[C@H](F)CN1
InChIInChI=1S/C10H11F2NO.BrH/c11-6-1-2-10(14)8(3-6)9-4-7(12)5-13-9;/h1-3,7,9,13-14H,4-5H2;1H/t7-,9+;/m0./s1
InChIKeyJVQYDGXNBZAHIM-DKXTVVGFSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 52.48
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 4-fluoro-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]phenol;hydrobromide?
The IUPAC name of 4-fluoro-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]phenol;hydrobromide (CID 153334918) is 4-fluoro-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]phenol;hydrobromide.
What is the SMILES notation for 4-fluoro-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]phenol;hydrobromide?
The canonical SMILES for 4-fluoro-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]phenol;hydrobromide is Br.Oc1ccc(F)cc1[C@H]1C[C@H](F)CN1.
What is the InChIKey of 4-fluoro-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]phenol;hydrobromide?
The InChIKey is JVQYDGXNBZAHIM-DKXTVVGFSA-N. The full InChI is InChI=1S/C10H11F2NO.BrH/c11-6-1-2-10(14)8(3-6)9-4-7(12)5-13-9;/h1-3,7,9,13-14H,4-5H2;1H/t7-,9+;/m0./s1.
What are the key properties of 4-fluoro-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]phenol;hydrobromide?
4-fluoro-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]phenol;hydrobromide has a molecular weight of 280.11 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]phenol;hydrobromide is sourced from PubChem (CID 153334918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).