1-(fluoromethylamino)-2-methylpropan-1-ol

C5H12FNO — CID 87879147

IUPAC1-(fluoromethylamino)-2-methylpropan-1-ol
SMILESCC(C)C(O)NCF
InChIInChI=1S/C5H12FNO/c1-4(2)5(8)7-3-6/h4-5,7-8H,3H2,1-2H3
InChIKeyBDYKIGLDBCERCQ-UHFFFAOYSA-N
MW121.15 g/mol
LogP0.48
Rot. Bonds3

About 1-(fluoromethylamino)-2-methylpropan-1-ol

1-(fluoromethylamino)-2-methylpropan-1-ol (PubChem CID 87879147) has the molecular formula C5H12FNO and a molecular weight of 121.15 g/mol. Its IUPAC name is 1-(fluoromethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(fluoromethylamino)-2-methylpropan-1-ol
PubChem CID87879147
Molecular FormulaC5H12FNO
Molecular Weight121.15 g/mol
Exact Mass121.09
IUPAC Name1-(fluoromethylamino)-2-methylpropan-1-ol
SMILESCC(C)C(O)NCF
InChIInChI=1S/C5H12FNO/c1-4(2)5(8)7-3-6/h4-5,7-8H,3H2,1-2H3
InChIKeyBDYKIGLDBCERCQ-UHFFFAOYSA-N
XLogP0.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.15
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethylamino)-2-methylpropan-1-ol?
The IUPAC name of 1-(fluoromethylamino)-2-methylpropan-1-ol (CID 87879147) is 1-(fluoromethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(fluoromethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 1-(fluoromethylamino)-2-methylpropan-1-ol is CC(C)C(O)NCF.
What is the InChIKey of 1-(fluoromethylamino)-2-methylpropan-1-ol?
The InChIKey is BDYKIGLDBCERCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO/c1-4(2)5(8)7-3-6/h4-5,7-8H,3H2,1-2H3.
What are the key properties of 1-(fluoromethylamino)-2-methylpropan-1-ol?
1-(fluoromethylamino)-2-methylpropan-1-ol has a molecular weight of 121.15 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 87879147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).