4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine

C7H12F3NO — CID 90180655

IUPAC4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine
SMILESC[C@H](N1CCOCC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6(7(8,9)10)11-2-4-12-5-3-11/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyILQHKRMLTPPPOM-LURJTMIESA-N
MW183.17 g/mol
LogP1.27
Rot. Bonds1

About 4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine

4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine (PubChem CID 90180655) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine.

Molecular Properties

Compound Name4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine
PubChem CID90180655
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine
SMILESC[C@H](N1CCOCC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6(7(8,9)10)11-2-4-12-5-3-11/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyILQHKRMLTPPPOM-LURJTMIESA-N
XLogP1.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Morpholine, 4-(1-methylethyl)-
CID 73998
4-(2,2,3,3-Tetrafluoropropyl)morpholine
CID 12554036
4-Methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-ium
CID 101731127
4-(Difluoromethyl)morpholine
CID 10329349
4-(1,1,2,2,2-Pentafluoroethyl)morpholine
CID 52991953
4-(2,2-Difluoropropyl)morpholine
CID 91007241
4-(2-Fluoropropyl)morpholine
CID 101432303
3,4-Dimethyl-morpholine
CID 19892454
Methyl ethyl morpholine
CID 20388049
Dimethylmorpholine hydrochloride
CID 69639350
2,2,6-Trifluoro-4-methylmorpholine
CID 338517
4-(Trifluoromethyl)morpholine
CID 12654528

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine?
The IUPAC name of 4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine (CID 90180655) is 4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine.
What is the SMILES notation for 4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine?
The canonical SMILES for 4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine is C[C@H](N1CCOCC1)C(F)(F)F.
What is the InChIKey of 4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine?
The InChIKey is ILQHKRMLTPPPOM-LURJTMIESA-N. The full InChI is InChI=1S/C7H12F3NO/c1-6(7(8,9)10)11-2-4-12-5-3-11/h6H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of 4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine?
4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine has a molecular weight of 183.17 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine is sourced from PubChem (CID 90180655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).