[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanol

C12H14F3NO2 — CID 18525883

IUPAC[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)10-1-2-11(9(7-10)8-17)16-3-5-18-6-4-16/h1-2,7,17H,3-6,8H2
InChIKeyKYVJYGRFMSNHDV-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.03
Rot. Bonds2

About [2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanol

[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanol (PubChem CID 18525883) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is [2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanol
PubChem CID18525883
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)10-1-2-11(9(7-10)8-17)16-3-5-18-6-4-16/h1-2,7,17H,3-6,8H2
InChIKeyKYVJYGRFMSNHDV-UHFFFAOYSA-N
XLogP2.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanol (CID 18525883) is [2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanol is OCc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of [2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is KYVJYGRFMSNHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-12(14,15)10-1-2-11(9(7-10)8-17)16-3-5-18-6-4-16/h1-2,7,17H,3-6,8H2.
What are the key properties of [2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanol?
[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 261.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 18525883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).