3-(2-fluoroethylamino)-2-methylpropan-1-ol

C6H14FNO — CID 80697403

IUPAC3-(2-fluoroethylamino)-2-methylpropan-1-ol
SMILESCC(CO)CNCCF
InChIInChI=1S/C6H14FNO/c1-6(5-9)4-8-3-2-7/h6,8-9H,2-5H2,1H3
InChIKeyADSHKEKEEPDLNN-UHFFFAOYSA-N
MW135.18 g/mol
LogP0.17
Rot. Bonds5

About 3-(2-fluoroethylamino)-2-methylpropan-1-ol

3-(2-fluoroethylamino)-2-methylpropan-1-ol (PubChem CID 80697403) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is 3-(2-fluoroethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2-fluoroethylamino)-2-methylpropan-1-ol
PubChem CID80697403
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC Name3-(2-fluoroethylamino)-2-methylpropan-1-ol
SMILESCC(CO)CNCCF
InChIInChI=1S/C6H14FNO/c1-6(5-9)4-8-3-2-7/h6,8-9H,2-5H2,1H3
InChIKeyADSHKEKEEPDLNN-UHFFFAOYSA-N
XLogP0.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 50.17
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 3-(2-fluoroethylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(2-fluoroethylamino)-2-methylpropan-1-ol (CID 80697403) is 3-(2-fluoroethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2-fluoroethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2-fluoroethylamino)-2-methylpropan-1-ol is CC(CO)CNCCF.
What is the InChIKey of 3-(2-fluoroethylamino)-2-methylpropan-1-ol?
The InChIKey is ADSHKEKEEPDLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO/c1-6(5-9)4-8-3-2-7/h6,8-9H,2-5H2,1H3.
What are the key properties of 3-(2-fluoroethylamino)-2-methylpropan-1-ol?
3-(2-fluoroethylamino)-2-methylpropan-1-ol has a molecular weight of 135.18 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 80697403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).