(1R)-1-amino-1-(4-fluorophenyl)-2-methylbut-3-en-2-ol

C11H14FNO — CID 67966015

IUPAC(1R)-1-amino-1-(4-fluorophenyl)-2-methylbut-3-en-2-ol
SMILESC=CC(C)(O)[C@H](N)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO/c1-3-11(2,14)10(13)8-4-6-9(12)7-5-8/h3-7,10,14H,1,13H2,2H3/t10-,11?/m1/s1
InChIKeyVPOWBARXYREYBN-NFJWQWPMSA-N
MW195.24 g/mol
LogP1.76
Rot. Bonds3

About (1R)-1-amino-1-(4-fluorophenyl)-2-methylbut-3-en-2-ol

(1R)-1-amino-1-(4-fluorophenyl)-2-methylbut-3-en-2-ol (PubChem CID 67966015) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (1R)-1-amino-1-(4-fluorophenyl)-2-methylbut-3-en-2-ol.

Molecular Properties

Compound Name(1R)-1-amino-1-(4-fluorophenyl)-2-methylbut-3-en-2-ol
PubChem CID67966015
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(1R)-1-amino-1-(4-fluorophenyl)-2-methylbut-3-en-2-ol
SMILESC=CC(C)(O)[C@H](N)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO/c1-3-11(2,14)10(13)8-4-6-9(12)7-5-8/h3-7,10,14H,1,13H2,2H3/t10-,11?/m1/s1
InChIKeyVPOWBARXYREYBN-NFJWQWPMSA-N
XLogP1.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-1-(4-fluorophenyl)-2-methylbut-3-en-2-ol?
The IUPAC name of (1R)-1-amino-1-(4-fluorophenyl)-2-methylbut-3-en-2-ol (CID 67966015) is (1R)-1-amino-1-(4-fluorophenyl)-2-methylbut-3-en-2-ol.
What is the SMILES notation for (1R)-1-amino-1-(4-fluorophenyl)-2-methylbut-3-en-2-ol?
The canonical SMILES for (1R)-1-amino-1-(4-fluorophenyl)-2-methylbut-3-en-2-ol is C=CC(C)(O)[C@H](N)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-amino-1-(4-fluorophenyl)-2-methylbut-3-en-2-ol?
The InChIKey is VPOWBARXYREYBN-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H14FNO/c1-3-11(2,14)10(13)8-4-6-9(12)7-5-8/h3-7,10,14H,1,13H2,2H3/t10-,11?/m1/s1.
What are the key properties of (1R)-1-amino-1-(4-fluorophenyl)-2-methylbut-3-en-2-ol?
(1R)-1-amino-1-(4-fluorophenyl)-2-methylbut-3-en-2-ol has a molecular weight of 195.24 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-1-(4-fluorophenyl)-2-methylbut-3-en-2-ol is sourced from PubChem (CID 67966015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).