2-[(1-fluoro-2-methylpropan-2-yl)amino]ethanol

C6H14FNO — CID 54211255

IUPAC2-[(1-fluoro-2-methylpropan-2-yl)amino]ethanol
SMILESCC(C)(CF)NCCO
InChIInChI=1S/C6H14FNO/c1-6(2,5-7)8-3-4-9/h8-9H,3-5H2,1-2H3
InChIKeyPWCJFYVVDKQMRE-UHFFFAOYSA-N
MW135.18 g/mol
LogP0.32
Rot. Bonds4

About 2-[(1-fluoro-2-methylpropan-2-yl)amino]ethanol

2-[(1-fluoro-2-methylpropan-2-yl)amino]ethanol (PubChem CID 54211255) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is 2-[(1-fluoro-2-methylpropan-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-fluoro-2-methylpropan-2-yl)amino]ethanol
PubChem CID54211255
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC Name2-[(1-fluoro-2-methylpropan-2-yl)amino]ethanol
SMILESCC(C)(CF)NCCO
InChIInChI=1S/C6H14FNO/c1-6(2,5-7)8-3-4-9/h8-9H,3-5H2,1-2H3
InChIKeyPWCJFYVVDKQMRE-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-fluoro-2-methylpropan-2-yl)amino]ethanol?
The IUPAC name of 2-[(1-fluoro-2-methylpropan-2-yl)amino]ethanol (CID 54211255) is 2-[(1-fluoro-2-methylpropan-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(1-fluoro-2-methylpropan-2-yl)amino]ethanol?
The canonical SMILES for 2-[(1-fluoro-2-methylpropan-2-yl)amino]ethanol is CC(C)(CF)NCCO.
What is the InChIKey of 2-[(1-fluoro-2-methylpropan-2-yl)amino]ethanol?
The InChIKey is PWCJFYVVDKQMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO/c1-6(2,5-7)8-3-4-9/h8-9H,3-5H2,1-2H3.
What are the key properties of 2-[(1-fluoro-2-methylpropan-2-yl)amino]ethanol?
2-[(1-fluoro-2-methylpropan-2-yl)amino]ethanol 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 2-[(1-fluoro-2-methylpropan-2-yl)amino]ethanol is sourced from PubChem (CID 54211255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).