(2R)-2-amino-2-(5-bromo-2,4-difluorophenyl)propan-1-ol

C9H10BrF2NO — CID 57495986

IUPAC(2R)-2-amino-2-(5-bromo-2,4-difluorophenyl)propan-1-ol
SMILESC[C@](N)(CO)c1cc(Br)c(F)cc1F
InChIInChI=1S/C9H10BrF2NO/c1-9(13,4-14)5-2-6(10)8(12)3-7(5)11/h2-3,14H,4,13H2,1H3/t9-/m0/s1
InChIKeyWNXPCUOPSIXBRS-VIFPVBQESA-N
MW266.08 g/mol
LogP1.89
Rot. Bonds2

About (2R)-2-amino-2-(5-bromo-2,4-difluorophenyl)propan-1-ol

(2R)-2-amino-2-(5-bromo-2,4-difluorophenyl)propan-1-ol (PubChem CID 57495986) has the molecular formula C9H10BrF2NO and a molecular weight of 266.08 g/mol. Its IUPAC name is (2R)-2-amino-2-(5-bromo-2,4-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-(5-bromo-2,4-difluorophenyl)propan-1-ol
PubChem CID57495986
Molecular FormulaC9H10BrF2NO
Molecular Weight266.08 g/mol
Exact Mass264.99
IUPAC Name(2R)-2-amino-2-(5-bromo-2,4-difluorophenyl)propan-1-ol
SMILESC[C@](N)(CO)c1cc(Br)c(F)cc1F
InChIInChI=1S/C9H10BrF2NO/c1-9(13,4-14)5-2-6(10)8(12)3-7(5)11/h2-3,14H,4,13H2,1H3/t9-/m0/s1
InChIKeyWNXPCUOPSIXBRS-VIFPVBQESA-N
XLogP1.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(5-bromo-2,4-difluorophenyl)propan-1-ol?
The IUPAC name of (2R)-2-amino-2-(5-bromo-2,4-difluorophenyl)propan-1-ol (CID 57495986) is (2R)-2-amino-2-(5-bromo-2,4-difluorophenyl)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-(5-bromo-2,4-difluorophenyl)propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-(5-bromo-2,4-difluorophenyl)propan-1-ol is C[C@](N)(CO)c1cc(Br)c(F)cc1F.
What is the InChIKey of (2R)-2-amino-2-(5-bromo-2,4-difluorophenyl)propan-1-ol?
The InChIKey is WNXPCUOPSIXBRS-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10BrF2NO/c1-9(13,4-14)5-2-6(10)8(12)3-7(5)11/h2-3,14H,4,13H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-(5-bromo-2,4-difluorophenyl)propan-1-ol?
(2R)-2-amino-2-(5-bromo-2,4-difluorophenyl)propan-1-ol has a molecular weight of 266.08 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(5-bromo-2,4-difluorophenyl)propan-1-ol is sourced from PubChem (CID 57495986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).