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

C6H7ClF3NO — CID 156736284

IUPAC(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC[C@H]1C(F)(F)F
InChIInChI=1S/C6H7ClF3NO/c7-5(12)11-3-1-2-4(11)6(8,9)10/h4H,1-3H2/t4-/m0/s1
InChIKeyYVSJSEYFELKQFI-BYPYZUCNSA-N
MW201.57 g/mol
LogP2.37
Rot. Bonds

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

(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride (PubChem CID 156736284) has the molecular formula C6H7ClF3NO and a molecular weight of 201.57 g/mol. Its IUPAC name is (2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride.

Molecular Properties

Compound Name(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride
PubChem CID156736284
Molecular FormulaC6H7ClF3NO
Molecular Weight201.57 g/mol
Exact Mass201.02
IUPAC Name(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride
SMILESO=C(Cl)N1CCC[C@H]1C(F)(F)F
InChIInChI=1S/C6H7ClF3NO/c7-5(12)11-3-1-2-4(11)6(8,9)10/h4H,1-3H2/t4-/m0/s1
InChIKeyYVSJSEYFELKQFI-BYPYZUCNSA-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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Related Compounds

3,3-Difluoropyrrolidine-1-carbonyl chloride
CID 59009373
2-(Trifluoromethyl)pyrrolidine-1-carbaldehyde
CID 87727190
2-(Trifluoromethyl)pyrrolidine-1-carbonyl chloride
CID 88541375
3,3,4,4-Tetrafluoropyrrolidine-1-carbonyl chloride
CID 131188739
(2R)-2-(trifluoromethyl)pyrrolidine-1-carbonyl iodide
CID 132238496
(2R)-2-(trifluoromethyl)pyrrolidine-1-carbaldehyde
CID 144195552
(2S)-2-(trifluoromethyl)pyrrolidine-1-carbaldehyde
CID 144814798
N-(3,3-difluorocyclopentyl)-N-methylcarbamoyl chloride
CID 105451151
2-(Difluoromethyl)pyrrolidine-1-carbaldehyde
CID 143474201
(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl chloride
CID 149796882
(3R,4S)-3,4-difluoropyrrolidine-1-carbonyl chloride
CID 165788079
2-Methylpyrrolidine-1-carbonyl chloride
CID 79880988

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride?
The IUPAC name of (2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride (CID 156736284) is (2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride.
What is the SMILES notation for (2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride?
The canonical SMILES for (2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride is O=C(Cl)N1CCC[C@H]1C(F)(F)F.
What is the InChIKey of (2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride?
The InChIKey is YVSJSEYFELKQFI-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H7ClF3NO/c7-5(12)11-3-1-2-4(11)6(8,9)10/h4H,1-3H2/t4-/m0/s1.
What are the key properties of (2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride?
(2S)-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 (2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride is sourced from PubChem (CID 156736284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).