1-(2-fluoroethylamino)-2-methylpropan-2-ol

C6H14FNO — CID 80697404

IUPAC1-(2-fluoroethylamino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNCCF
InChIInChI=1S/C6H14FNO/c1-6(2,9)5-8-4-3-7/h8-9H,3-5H2,1-2H3
InChIKeyOSQGRKAWDCNTCL-UHFFFAOYSA-N
MW135.18 g/mol
LogP0.32
Rot. Bonds4

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

1-(2-fluoroethylamino)-2-methylpropan-2-ol (PubChem CID 80697404) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is 1-(2-fluoroethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-fluoroethylamino)-2-methylpropan-2-ol
PubChem CID80697404
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC Name1-(2-fluoroethylamino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNCCF
InChIInChI=1S/C6H14FNO/c1-6(2,9)5-8-4-3-7/h8-9H,3-5H2,1-2H3
InChIKeyOSQGRKAWDCNTCL-UHFFFAOYSA-N
XLogP0.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-fluoroethylamino)-2-methylpropan-2-ol (CID 80697404) is 1-(2-fluoroethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-fluoroethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-fluoroethylamino)-2-methylpropan-2-ol is CC(C)(O)CNCCF.
What is the InChIKey of 1-(2-fluoroethylamino)-2-methylpropan-2-ol?
The InChIKey is OSQGRKAWDCNTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO/c1-6(2,9)5-8-4-3-7/h8-9H,3-5H2,1-2H3.
What are the key properties of 1-(2-fluoroethylamino)-2-methylpropan-2-ol?
1-(2-fluoroethylamino)-2-methylpropan-2-ol has a molecular weight of 135.18 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 80697404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).