(3S)-3-(trifluoromethyl)morpholine

C5H8F3NO — CID 52810917

IUPAC(3S)-3-(trifluoromethyl)morpholine
SMILESFC(F)(F)[C@@H]1COCCN1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)4-3-10-2-1-9-4/h4,9H,1-3H2/t4-/m0/s1
InChIKeyQLADYDPROMQLCA-BYPYZUCNSA-N
MW155.12 g/mol
LogP0.54
Rot. Bonds

About (3S)-3-(trifluoromethyl)morpholine

(3S)-3-(trifluoromethyl)morpholine (PubChem CID 52810917) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is (3S)-3-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(trifluoromethyl)morpholine
PubChem CID52810917
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name(3S)-3-(trifluoromethyl)morpholine
SMILESFC(F)(F)[C@@H]1COCCN1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)4-3-10-2-1-9-4/h4,9H,1-3H2/t4-/m0/s1
InChIKeyQLADYDPROMQLCA-BYPYZUCNSA-N
XLogP0.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(trifluoromethyl)morpholine?
The IUPAC name of (3S)-3-(trifluoromethyl)morpholine (CID 52810917) is (3S)-3-(trifluoromethyl)morpholine.
What is the SMILES notation for (3S)-3-(trifluoromethyl)morpholine?
The canonical SMILES for (3S)-3-(trifluoromethyl)morpholine is FC(F)(F)[C@@H]1COCCN1.
What is the InChIKey of (3S)-3-(trifluoromethyl)morpholine?
The InChIKey is QLADYDPROMQLCA-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-5(7,8)4-3-10-2-1-9-4/h4,9H,1-3H2/t4-/m0/s1.
What are the key properties of (3S)-3-(trifluoromethyl)morpholine?
(3S)-3-(trifluoromethyl)morpholine has a molecular weight of 155.12 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(trifluoromethyl)morpholine is sourced from PubChem (CID 52810917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).