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

C12H23F3N2O — CID 54993575

IUPAC2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclohexylamino]ethanol
SMILESNCCC(N(CCO)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H23F3N2O/c13-12(14,15)11(6-7-16)17(8-9-18)10-4-2-1-3-5-10/h10-11,18H,1-9,16H2
InChIKeyYKMRCMKPZSVQHN-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds6

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

2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclohexylamino]ethanol (PubChem CID 54993575) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclohexylamino]ethanol
PubChem CID54993575
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclohexylamino]ethanol
SMILESNCCC(N(CCO)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H23F3N2O/c13-12(14,15)11(6-7-16)17(8-9-18)10-4-2-1-3-5-10/h10-11,18H,1-9,16H2
InChIKeyYKMRCMKPZSVQHN-UHFFFAOYSA-N
XLogP1.89
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
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)-cyclohexylamino]ethanol?
The IUPAC name of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclohexylamino]ethanol (CID 54993575) is 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclohexylamino]ethanol is NCCC(N(CCO)C1CCCCC1)C(F)(F)F.
What is the InChIKey of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclohexylamino]ethanol?
The InChIKey is YKMRCMKPZSVQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c13-12(14,15)11(6-7-16)17(8-9-18)10-4-2-1-3-5-10/h10-11,18H,1-9,16H2.
What are the key properties of 2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclohexylamino]ethanol?
2-[(4-amino-1,1,1-trifluorobutan-2-yl)-cyclohexylamino]ethanol has a molecular weight of 268.32 g/mol, XLogP of 1.89, 6 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)-cyclohexylamino]ethanol is sourced from PubChem (CID 54993575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).