2-(2-amino-5-chloro-4-fluorophenyl)propan-2-ol

C9H11ClFNO — CID 139377701

IUPAC2-(2-amino-5-chloro-4-fluorophenyl)propan-2-ol
SMILESCC(C)(O)c1cc(Cl)c(F)cc1N
InChIInChI=1S/C9H11ClFNO/c1-9(2,13)5-3-6(10)7(11)4-8(5)12/h3-4,13H,12H2,1-2H3
InChIKeyWELDFZZHJZPRNO-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.29
Rot. Bonds1

About 2-(2-amino-5-chloro-4-fluorophenyl)propan-2-ol

2-(2-amino-5-chloro-4-fluorophenyl)propan-2-ol (PubChem CID 139377701) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 2-(2-amino-5-chloro-4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-amino-5-chloro-4-fluorophenyl)propan-2-ol
PubChem CID139377701
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name2-(2-amino-5-chloro-4-fluorophenyl)propan-2-ol
SMILESCC(C)(O)c1cc(Cl)c(F)cc1N
InChIInChI=1S/C9H11ClFNO/c1-9(2,13)5-3-6(10)7(11)4-8(5)12/h3-4,13H,12H2,1-2H3
InChIKeyWELDFZZHJZPRNO-UHFFFAOYSA-N
XLogP2.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chloro-4-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(2-amino-5-chloro-4-fluorophenyl)propan-2-ol (CID 139377701) is 2-(2-amino-5-chloro-4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(2-amino-5-chloro-4-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(2-amino-5-chloro-4-fluorophenyl)propan-2-ol is CC(C)(O)c1cc(Cl)c(F)cc1N.
What is the InChIKey of 2-(2-amino-5-chloro-4-fluorophenyl)propan-2-ol?
The InChIKey is WELDFZZHJZPRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-9(2,13)5-3-6(10)7(11)4-8(5)12/h3-4,13H,12H2,1-2H3.
What are the key properties of 2-(2-amino-5-chloro-4-fluorophenyl)propan-2-ol?
2-(2-amino-5-chloro-4-fluorophenyl)propan-2-ol has a molecular weight of 203.64 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chloro-4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 139377701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).