2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride

C6H7ClF3NO — CID 88541375

IUPAC2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCCC1C(F)(F)F
InChIInChI=1S/C6H7ClF3NO/c7-5(12)11-3-1-2-4(11)6(8,9)10/h4H,1-3H2
InChIKeyYVSJSEYFELKQFI-UHFFFAOYSA-N
MW201.57 g/mol
LogP2.37
Rot. Bonds

About 2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride

2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride (PubChem CID 88541375) has the molecular formula C6H7ClF3NO and a molecular weight of 201.57 g/mol. Its IUPAC name is 2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride.

Molecular Properties

Compound Name2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride
PubChem CID88541375
Molecular FormulaC6H7ClF3NO
Molecular Weight201.57 g/mol
Exact Mass201.02
IUPAC Name2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCCC1C(F)(F)F
InChIInChI=1S/C6H7ClF3NO/c7-5(12)11-3-1-2-4(11)6(8,9)10/h4H,1-3H2
InChIKeyYVSJSEYFELKQFI-UHFFFAOYSA-N
XLogP2.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.57
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride?
The IUPAC name of 2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride (CID 88541375) is 2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride.
What is the SMILES notation for 2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride?
The canonical SMILES for 2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride is O=C(Cl)N1CCCC1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride?
The InChIKey is YVSJSEYFELKQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF3NO/c7-5(12)11-3-1-2-4(11)6(8,9)10/h4H,1-3H2.
What are the key properties of 2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride?
2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride has a molecular weight of 201.57 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride is sourced from PubChem (CID 88541375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).