[5-methyl-4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol

C8H14F3NO2 — CID 114286845

IUPAC[5-methyl-4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6-4-14-7(3-13)2-12(6)5-8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyDZSQNCJIFMKUGQ-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.63
Rot. Bonds2

About [5-methyl-4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol

[5-methyl-4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol (PubChem CID 114286845) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is [5-methyl-4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol
PubChem CID114286845
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name[5-methyl-4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6-4-14-7(3-13)2-12(6)5-8(9,10)11/h6-7,13H,2-5H2,1H3
InChIKeyDZSQNCJIFMKUGQ-UHFFFAOYSA-N
XLogP0.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol?
The IUPAC name of [5-methyl-4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol (CID 114286845) is [5-methyl-4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol?
The canonical SMILES for [5-methyl-4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol is CC1COC(CO)CN1CC(F)(F)F.
What is the InChIKey of [5-methyl-4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol?
The InChIKey is DZSQNCJIFMKUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-6-4-14-7(3-13)2-12(6)5-8(9,10)11/h6-7,13H,2-5H2,1H3.
What are the key properties of [5-methyl-4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol?
[5-methyl-4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol has a molecular weight of 213.20 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(2,2,2-trifluoroethyl)morpholin-2-yl]methanol is sourced from PubChem (CID 114286845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).