(4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol

C14H18F3NO2 — CID 79663304

IUPAC(4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol
SMILESCC(C)N1CCOC(C(O)c2ccc(F)c(F)c2F)C1
InChIInChI=1S/C14H18F3NO2/c1-8(2)18-5-6-20-11(7-18)14(19)9-3-4-10(15)13(17)12(9)16/h3-4,8,11,14,19H,5-7H2,1-2H3
InChIKeyJDGPKJIZYZQJGS-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.25
Rot. Bonds3

About (4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol

(4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol (PubChem CID 79663304) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is (4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name(4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol
PubChem CID79663304
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name(4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol
SMILESCC(C)N1CCOC(C(O)c2ccc(F)c(F)c2F)C1
InChIInChI=1S/C14H18F3NO2/c1-8(2)18-5-6-20-11(7-18)14(19)9-3-4-10(15)13(17)12(9)16/h3-4,8,11,14,19H,5-7H2,1-2H3
InChIKeyJDGPKJIZYZQJGS-UHFFFAOYSA-N
XLogP2.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of (4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol (CID 79663304) is (4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for (4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for (4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol is CC(C)N1CCOC(C(O)c2ccc(F)c(F)c2F)C1.
What is the InChIKey of (4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol?
The InChIKey is JDGPKJIZYZQJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-8(2)18-5-6-20-11(7-18)14(19)9-3-4-10(15)13(17)12(9)16/h3-4,8,11,14,19H,5-7H2,1-2H3.
What are the key properties of (4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol?
(4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol has a molecular weight of 289.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylmorpholin-2-yl)-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 79663304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).