2-amino-4-(2-fluorophenyl)butan-2-ol

C10H14FNO — CID 130390952

IUPAC2-amino-4-(2-fluorophenyl)butan-2-ol
SMILESCC(N)(O)CCc1ccccc1F
InChIInChI=1S/C10H14FNO/c1-10(12,13)7-6-8-4-2-3-5-9(8)11/h2-5,13H,6-7,12H2,1H3
InChIKeyVOWJSHMHEJBYQA-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.43
Rot. Bonds3

About 2-amino-4-(2-fluorophenyl)butan-2-ol

2-amino-4-(2-fluorophenyl)butan-2-ol (PubChem CID 130390952) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-amino-4-(2-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name2-amino-4-(2-fluorophenyl)butan-2-ol
PubChem CID130390952
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-amino-4-(2-fluorophenyl)butan-2-ol
SMILESCC(N)(O)CCc1ccccc1F
InChIInChI=1S/C10H14FNO/c1-10(12,13)7-6-8-4-2-3-5-9(8)11/h2-5,13H,6-7,12H2,1H3
InChIKeyVOWJSHMHEJBYQA-UHFFFAOYSA-N
XLogP1.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-fluorophenyl)butan-2-ol?
The IUPAC name of 2-amino-4-(2-fluorophenyl)butan-2-ol (CID 130390952) is 2-amino-4-(2-fluorophenyl)butan-2-ol.
What is the SMILES notation for 2-amino-4-(2-fluorophenyl)butan-2-ol?
The canonical SMILES for 2-amino-4-(2-fluorophenyl)butan-2-ol is CC(N)(O)CCc1ccccc1F.
What is the InChIKey of 2-amino-4-(2-fluorophenyl)butan-2-ol?
The InChIKey is VOWJSHMHEJBYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-10(12,13)7-6-8-4-2-3-5-9(8)11/h2-5,13H,6-7,12H2,1H3.
What are the key properties of 2-amino-4-(2-fluorophenyl)butan-2-ol?
2-amino-4-(2-fluorophenyl)butan-2-ol has a molecular weight of 183.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-fluorophenyl)butan-2-ol is sourced from PubChem (CID 130390952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).