propan-2-yl (3R)-3-(trifluoromethyl)morpholine-4-carboxylate

C9H14F3NO3 — CID 177326813

IUPACpropan-2-yl (3R)-3-(trifluoromethyl)morpholine-4-carboxylate
SMILESCC(C)OC(=O)N1CCOC[C@@H]1C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-6(2)16-8(14)13-3-4-15-5-7(13)9(10,11)12/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyIPTNLLOAASXQAN-SSDOTTSWSA-N
MW241.21 g/mol
LogP1.79
Rot. Bonds1

About propan-2-yl (3R)-3-(trifluoromethyl)morpholine-4-carboxylate

propan-2-yl (3R)-3-(trifluoromethyl)morpholine-4-carboxylate (PubChem CID 177326813) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is propan-2-yl (3R)-3-(trifluoromethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (3R)-3-(trifluoromethyl)morpholine-4-carboxylate
PubChem CID177326813
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Namepropan-2-yl (3R)-3-(trifluoromethyl)morpholine-4-carboxylate
SMILESCC(C)OC(=O)N1CCOC[C@@H]1C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-6(2)16-8(14)13-3-4-15-5-7(13)9(10,11)12/h6-7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyIPTNLLOAASXQAN-SSDOTTSWSA-N
XLogP1.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3R)-3-(trifluoromethyl)morpholine-4-carboxylate?
The IUPAC name of propan-2-yl (3R)-3-(trifluoromethyl)morpholine-4-carboxylate (CID 177326813) is propan-2-yl (3R)-3-(trifluoromethyl)morpholine-4-carboxylate.
What is the SMILES notation for propan-2-yl (3R)-3-(trifluoromethyl)morpholine-4-carboxylate?
The canonical SMILES for propan-2-yl (3R)-3-(trifluoromethyl)morpholine-4-carboxylate is CC(C)OC(=O)N1CCOC[C@@H]1C(F)(F)F.
What is the InChIKey of propan-2-yl (3R)-3-(trifluoromethyl)morpholine-4-carboxylate?
The InChIKey is IPTNLLOAASXQAN-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-6(2)16-8(14)13-3-4-15-5-7(13)9(10,11)12/h6-7H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of propan-2-yl (3R)-3-(trifluoromethyl)morpholine-4-carboxylate?
propan-2-yl (3R)-3-(trifluoromethyl)morpholine-4-carboxylate has a molecular weight of 241.21 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3R)-3-(trifluoromethyl)morpholine-4-carboxylate is sourced from PubChem (CID 177326813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).