[3-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone

C11H17ClFNO — CID 131001682

IUPAC[3-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone
SMILESCC1(CCl)CCN(C(=O)C2(C)CC2F)C1
InChIInChI=1S/C11H17ClFNO/c1-10(6-12)3-4-14(7-10)9(15)11(2)5-8(11)13/h8H,3-7H2,1-2H3
InChIKeySSYPZELZYNTVQS-UHFFFAOYSA-N
MW233.71 g/mol
LogP2.21
Rot. Bonds2

About [3-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone

[3-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone (PubChem CID 131001682) has the molecular formula C11H17ClFNO and a molecular weight of 233.71 g/mol. Its IUPAC name is [3-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone
PubChem CID131001682
Molecular FormulaC11H17ClFNO
Molecular Weight233.71 g/mol
Exact Mass233.10
IUPAC Name[3-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone
SMILESCC1(CCl)CCN(C(=O)C2(C)CC2F)C1
InChIInChI=1S/C11H17ClFNO/c1-10(6-12)3-4-14(7-10)9(15)11(2)5-8(11)13/h8H,3-7H2,1-2H3
InChIKeySSYPZELZYNTVQS-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.71
LogP ≤ 52.21
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 [3-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
The IUPAC name of [3-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone (CID 131001682) is [3-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone.
What is the SMILES notation for [3-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
The canonical SMILES for [3-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone is CC1(CCl)CCN(C(=O)C2(C)CC2F)C1.
What is the InChIKey of [3-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
The InChIKey is SSYPZELZYNTVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClFNO/c1-10(6-12)3-4-14(7-10)9(15)11(2)5-8(11)13/h8H,3-7H2,1-2H3.
What are the key properties of [3-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone?
[3-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone has a molecular weight of 233.71 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone is sourced from PubChem (CID 131001682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).