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

C10H14F5N — CID 162620213

IUPAC1-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine
SMILESC=C(C)[C@@](F)(C(F)N1CCCC1)C(F)(F)F
InChIInChI=1S/C10H14F5N/c1-7(2)9(12,10(13,14)15)8(11)16-5-3-4-6-16/h8H,1,3-6H2,2H3/t8?,9-/m1/s1
InChIKeyBIZDAGBHJYTFMU-YGPZHTELSA-N
MW243.22 g/mol
LogP3.22
Rot. Bonds3

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

1-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine (PubChem CID 162620213) has the molecular formula C10H14F5N and a molecular weight of 243.22 g/mol. Its IUPAC name is 1-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine
PubChem CID162620213
Molecular FormulaC10H14F5N
Molecular Weight243.22 g/mol
Exact Mass243.10
IUPAC Name1-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine
SMILESC=C(C)[C@@](F)(C(F)N1CCCC1)C(F)(F)F
InChIInChI=1S/C10H14F5N/c1-7(2)9(12,10(13,14)15)8(11)16-5-3-4-6-16/h8H,1,3-6H2,2H3/t8?,9-/m1/s1
InChIKeyBIZDAGBHJYTFMU-YGPZHTELSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine?
The IUPAC name of 1-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine (CID 162620213) is 1-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine.
What is the SMILES notation for 1-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine?
The canonical SMILES for 1-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine is C=C(C)[C@@](F)(C(F)N1CCCC1)C(F)(F)F.
What is the InChIKey of 1-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine?
The InChIKey is BIZDAGBHJYTFMU-YGPZHTELSA-N. The full InChI is InChI=1S/C10H14F5N/c1-7(2)9(12,10(13,14)15)8(11)16-5-3-4-6-16/h8H,1,3-6H2,2H3/t8?,9-/m1/s1.
What are the key properties of 1-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine?
1-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine has a molecular weight of 243.22 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine is sourced from PubChem (CID 162620213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).