2-[(3-amino-1,1,1-trifluoropropan-2-yl)-butylamino]ethanol

C9H19F3N2O — CID 61443893

IUPAC2-[(3-amino-1,1,1-trifluoropropan-2-yl)-butylamino]ethanol
SMILESCCCCN(CCO)C(CN)C(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-2-3-4-14(5-6-15)8(7-13)9(10,11)12/h8,15H,2-7,13H2,1H3
InChIKeyLFDRPWRRKVNIBK-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.97
Rot. Bonds7

About 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-butylamino]ethanol

2-[(3-amino-1,1,1-trifluoropropan-2-yl)-butylamino]ethanol (PubChem CID 61443893) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-butylamino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-1,1,1-trifluoropropan-2-yl)-butylamino]ethanol
PubChem CID61443893
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name2-[(3-amino-1,1,1-trifluoropropan-2-yl)-butylamino]ethanol
SMILESCCCCN(CCO)C(CN)C(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-2-3-4-14(5-6-15)8(7-13)9(10,11)12/h8,15H,2-7,13H2,1H3
InChIKeyLFDRPWRRKVNIBK-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-butylamino]ethanol?
The IUPAC name of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-butylamino]ethanol (CID 61443893) is 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-butylamino]ethanol.
What is the SMILES notation for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-butylamino]ethanol?
The canonical SMILES for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-butylamino]ethanol is CCCCN(CCO)C(CN)C(F)(F)F.
What is the InChIKey of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-butylamino]ethanol?
The InChIKey is LFDRPWRRKVNIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-2-3-4-14(5-6-15)8(7-13)9(10,11)12/h8,15H,2-7,13H2,1H3.
What are the key properties of 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-butylamino]ethanol?
2-[(3-amino-1,1,1-trifluoropropan-2-yl)-butylamino]ethanol has a molecular weight of 228.26 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,1,1-trifluoropropan-2-yl)-butylamino]ethanol is sourced from PubChem (CID 61443893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).