[4-(3-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]methanol

C9H17F3N2O2 — CID 81205428

IUPAC[4-(3-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]methanol
SMILESCC(N)C(N1CCOC(CO)C1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-6(13)8(9(10,11)12)14-2-3-16-7(4-14)5-15/h6-8,15H,2-5,13H2,1H3
InChIKeyAELGWAVDQOBJLY-UHFFFAOYSA-N
MW242.24 g/mol
LogP-0.04
Rot. Bonds3

About [4-(3-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]methanol

[4-(3-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]methanol (PubChem CID 81205428) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is [4-(3-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]methanol
PubChem CID81205428
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name[4-(3-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]methanol
SMILESCC(N)C(N1CCOC(CO)C1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-6(13)8(9(10,11)12)14-2-3-16-7(4-14)5-15/h6-8,15H,2-5,13H2,1H3
InChIKeyAELGWAVDQOBJLY-UHFFFAOYSA-N
XLogP-0.04
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]methanol?
The IUPAC name of [4-(3-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]methanol (CID 81205428) is [4-(3-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-(3-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]methanol?
The canonical SMILES for [4-(3-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]methanol is CC(N)C(N1CCOC(CO)C1)C(F)(F)F.
What is the InChIKey of [4-(3-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]methanol?
The InChIKey is AELGWAVDQOBJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-6(13)8(9(10,11)12)14-2-3-16-7(4-14)5-15/h6-8,15H,2-5,13H2,1H3.
What are the key properties of [4-(3-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]methanol?
[4-(3-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]methanol has a molecular weight of 242.24 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-1,1,1-trifluorobutan-2-yl)morpholin-2-yl]methanol is sourced from PubChem (CID 81205428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).