4-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]morpholine

C10H14F5NO — CID 155372988

IUPAC4-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]morpholine
SMILESC=C(C)[C@@](F)(C(F)N1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H14F5NO/c1-7(2)9(12,10(13,14)15)8(11)16-3-5-17-6-4-16/h8H,1,3-6H2,2H3/t8?,9-/m1/s1
InChIKeyVEKRKBDVYGSRPD-YGPZHTELSA-N
MW259.22 g/mol
LogP2.46
Rot. Bonds3

About 4-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]morpholine

4-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]morpholine (PubChem CID 155372988) has the molecular formula C10H14F5NO and a molecular weight of 259.22 g/mol. Its IUPAC name is 4-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]morpholine.

Molecular Properties

Compound Name4-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]morpholine
PubChem CID155372988
Molecular FormulaC10H14F5NO
Molecular Weight259.22 g/mol
Exact Mass259.10
IUPAC Name4-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]morpholine
SMILESC=C(C)[C@@](F)(C(F)N1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H14F5NO/c1-7(2)9(12,10(13,14)15)8(11)16-3-5-17-6-4-16/h8H,1,3-6H2,2H3/t8?,9-/m1/s1
InChIKeyVEKRKBDVYGSRPD-YGPZHTELSA-N
XLogP2.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 4-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]morpholine?
The IUPAC name of 4-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]morpholine (CID 155372988) is 4-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]morpholine.
What is the SMILES notation for 4-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]morpholine?
The canonical SMILES for 4-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]morpholine is C=C(C)[C@@](F)(C(F)N1CCOCC1)C(F)(F)F.
What is the InChIKey of 4-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]morpholine?
The InChIKey is VEKRKBDVYGSRPD-YGPZHTELSA-N. The full InChI is InChI=1S/C10H14F5NO/c1-7(2)9(12,10(13,14)15)8(11)16-3-5-17-6-4-16/h8H,1,3-6H2,2H3/t8?,9-/m1/s1.
What are the key properties of 4-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]morpholine?
4-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]morpholine has a molecular weight of 259.22 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]morpholine is sourced from PubChem (CID 155372988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).