2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]ethanol

C10H21F3N2O — CID 61444798

IUPAC2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]ethanol
SMILESCCCCN(CCO)C(CCN)C(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-2-3-6-15(7-8-16)9(4-5-14)10(11,12)13/h9,16H,2-8,14H2,1H3
InChIKeyGWDCAOVDWSXTOD-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.36
Rot. Bonds8

About 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]ethanol

2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]ethanol (PubChem CID 61444798) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]ethanol
PubChem CID61444798
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]ethanol
SMILESCCCCN(CCO)C(CCN)C(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-2-3-6-15(7-8-16)9(4-5-14)10(11,12)13/h9,16H,2-8,14H2,1H3
InChIKeyGWDCAOVDWSXTOD-UHFFFAOYSA-N
XLogP1.36
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]ethanol?
The IUPAC name of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]ethanol (CID 61444798) is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]ethanol.
What is the SMILES notation for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]ethanol?
The canonical SMILES for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]ethanol is CCCCN(CCO)C(CCN)C(F)(F)F.
What is the InChIKey of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]ethanol?
The InChIKey is GWDCAOVDWSXTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-2-3-6-15(7-8-16)9(4-5-14)10(11,12)13/h9,16H,2-8,14H2,1H3.
What are the key properties of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]ethanol?
2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]ethanol has a molecular weight of 242.28 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-butylamino]ethanol is sourced from PubChem (CID 61444798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).