[(1R,2S)-2-amino-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanol

C10H11BrFNO — CID 58562957

IUPAC[(1R,2S)-2-amino-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanol
SMILESN[C@@]1(c2cc(Br)ccc2F)C[C@H]1CO
InChIInChI=1S/C10H11BrFNO/c11-7-1-2-9(12)8(3-7)10(13)4-6(10)5-14/h1-3,6,14H,4-5,13H2/t6-,10-/m0/s1
InChIKeyFERHDURGJZCTBB-WKEGUHRASA-N
MW260.11 g/mol
LogP1.75
Rot. Bonds2

About [(1R,2S)-2-amino-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanol

[(1R,2S)-2-amino-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanol (PubChem CID 58562957) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is [(1R,2S)-2-amino-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-amino-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanol
PubChem CID58562957
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name[(1R,2S)-2-amino-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanol
SMILESN[C@@]1(c2cc(Br)ccc2F)C[C@H]1CO
InChIInChI=1S/C10H11BrFNO/c11-7-1-2-9(12)8(3-7)10(13)4-6(10)5-14/h1-3,6,14H,4-5,13H2/t6-,10-/m0/s1
InChIKeyFERHDURGJZCTBB-WKEGUHRASA-N
XLogP1.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-amino-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanol?
The IUPAC name of [(1R,2S)-2-amino-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanol (CID 58562957) is [(1R,2S)-2-amino-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanol.
What is the SMILES notation for [(1R,2S)-2-amino-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanol?
The canonical SMILES for [(1R,2S)-2-amino-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanol is N[C@@]1(c2cc(Br)ccc2F)C[C@H]1CO.
What is the InChIKey of [(1R,2S)-2-amino-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanol?
The InChIKey is FERHDURGJZCTBB-WKEGUHRASA-N. The full InChI is InChI=1S/C10H11BrFNO/c11-7-1-2-9(12)8(3-7)10(13)4-6(10)5-14/h1-3,6,14H,4-5,13H2/t6-,10-/m0/s1.
What are the key properties of [(1R,2S)-2-amino-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanol?
[(1R,2S)-2-amino-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanol has a molecular weight of 260.11 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-amino-2-(5-bromo-2-fluorophenyl)cyclopropyl]methanol is sourced from PubChem (CID 58562957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).