(1S)-1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol

C10H14FNO — CID 67133342

IUPAC(1S)-1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(C)(O)[C@@H](N)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO/c1-10(2,13)9(12)7-3-5-8(11)6-4-7/h3-6,9,13H,12H2,1-2H3/t9-/m0/s1
InChIKeyHFKGZEMBXJBJHG-VIFPVBQESA-N
MW183.23 g/mol
LogP1.60
Rot. Bonds2

About (1S)-1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol

(1S)-1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol (PubChem CID 67133342) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is (1S)-1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name(1S)-1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol
PubChem CID67133342
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name(1S)-1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(C)(O)[C@@H](N)c1ccc(F)cc1
InChIInChI=1S/C10H14FNO/c1-10(2,13)9(12)7-3-5-8(11)6-4-7/h3-6,9,13H,12H2,1-2H3/t9-/m0/s1
InChIKeyHFKGZEMBXJBJHG-VIFPVBQESA-N
XLogP1.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol?
The IUPAC name of (1S)-1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol (CID 67133342) is (1S)-1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for (1S)-1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for (1S)-1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol is CC(C)(O)[C@@H](N)c1ccc(F)cc1.
What is the InChIKey of (1S)-1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol?
The InChIKey is HFKGZEMBXJBJHG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14FNO/c1-10(2,13)9(12)7-3-5-8(11)6-4-7/h3-6,9,13H,12H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol?
(1S)-1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol has a molecular weight of 183.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 67133342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).