ethane;2-(fluoromethylamino)ethanol

C5H14FNO — CID 171824110

IUPACethane;2-(fluoromethylamino)ethanol
SMILESCC.OCCNCF
InChIInChI=1S/C3H8FNO.C2H6/c4-3-5-1-2-6;1-2/h5-6H,1-3H2;1-2H3
InChIKeySWPVSKTWNYQVQR-UHFFFAOYSA-N
MW123.17 g/mol
LogP0.52
Rot. Bonds3

About ethane;2-(fluoromethylamino)ethanol

ethane;2-(fluoromethylamino)ethanol (PubChem CID 171824110) has the molecular formula C5H14FNO and a molecular weight of 123.17 g/mol. Its IUPAC name is ethane;2-(fluoromethylamino)ethanol.

Molecular Properties

Compound Nameethane;2-(fluoromethylamino)ethanol
PubChem CID171824110
Molecular FormulaC5H14FNO
Molecular Weight123.17 g/mol
Exact Mass123.11
IUPAC Nameethane;2-(fluoromethylamino)ethanol
SMILESCC.OCCNCF
InChIInChI=1S/C3H8FNO.C2H6/c4-3-5-1-2-6;1-2/h5-6H,1-3H2;1-2H3
InChIKeySWPVSKTWNYQVQR-UHFFFAOYSA-N
XLogP0.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.17
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(fluoromethylamino)ethanol?
The IUPAC name of ethane;2-(fluoromethylamino)ethanol (CID 171824110) is ethane;2-(fluoromethylamino)ethanol.
What is the SMILES notation for ethane;2-(fluoromethylamino)ethanol?
The canonical SMILES for ethane;2-(fluoromethylamino)ethanol is CC.OCCNCF.
What is the InChIKey of ethane;2-(fluoromethylamino)ethanol?
The InChIKey is SWPVSKTWNYQVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FNO.C2H6/c4-3-5-1-2-6;1-2/h5-6H,1-3H2;1-2H3.
What are the key properties of ethane;2-(fluoromethylamino)ethanol?
ethane;2-(fluoromethylamino)ethanol has a molecular weight of 123.17 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(fluoromethylamino)ethanol is sourced from PubChem (CID 171824110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).