(2R)-2-chloro-2-fluoro-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone

C9H15ClFNO — CID 176753095

IUPAC(2R)-2-chloro-2-fluoro-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)[C@H](F)Cl)C1
InChIInChI=1S/C9H15ClFNO/c1-6(2)7-3-4-12(5-7)9(13)8(10)11/h6-8H,3-5H2,1-2H3/t7?,8-/m0/s1
InChIKeySKVKVMVCKQEYAQ-MQWKRIRWSA-N
MW207.68 g/mol
LogP2.03
Rot. Bonds2

About (2R)-2-chloro-2-fluoro-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone

(2R)-2-chloro-2-fluoro-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 176753095) has the molecular formula C9H15ClFNO and a molecular weight of 207.68 g/mol. Its IUPAC name is (2R)-2-chloro-2-fluoro-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name(2R)-2-chloro-2-fluoro-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
PubChem CID176753095
Molecular FormulaC9H15ClFNO
Molecular Weight207.68 g/mol
Exact Mass207.08
IUPAC Name(2R)-2-chloro-2-fluoro-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)[C@H](F)Cl)C1
InChIInChI=1S/C9H15ClFNO/c1-6(2)7-3-4-12(5-7)9(13)8(10)11/h6-8H,3-5H2,1-2H3/t7?,8-/m0/s1
InChIKeySKVKVMVCKQEYAQ-MQWKRIRWSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-2-fluoro-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of (2R)-2-chloro-2-fluoro-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone (CID 176753095) is (2R)-2-chloro-2-fluoro-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for (2R)-2-chloro-2-fluoro-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for (2R)-2-chloro-2-fluoro-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone is CC(C)C1CCN(C(=O)[C@H](F)Cl)C1.
What is the InChIKey of (2R)-2-chloro-2-fluoro-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is SKVKVMVCKQEYAQ-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H15ClFNO/c1-6(2)7-3-4-12(5-7)9(13)8(10)11/h6-8H,3-5H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of (2R)-2-chloro-2-fluoro-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
(2R)-2-chloro-2-fluoro-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 207.68 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-2-fluoro-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 176753095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).