cyclopropyl-[2-(fluoromethyl)-4-methylpyrrolidin-1-yl]methanone

C10H16FNO — CID 170768284

IUPACcyclopropyl-[2-(fluoromethyl)-4-methylpyrrolidin-1-yl]methanone
SMILESCC1CC(CF)N(C(=O)C2CC2)C1
InChIInChI=1S/C10H16FNO/c1-7-4-9(5-11)12(6-7)10(13)8-2-3-8/h7-9H,2-6H2,1H3
InChIKeyPWHRSVKEXIYCCT-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.60
Rot. Bonds2

About cyclopropyl-[2-(fluoromethyl)-4-methylpyrrolidin-1-yl]methanone

cyclopropyl-[2-(fluoromethyl)-4-methylpyrrolidin-1-yl]methanone (PubChem CID 170768284) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is cyclopropyl-[2-(fluoromethyl)-4-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-(fluoromethyl)-4-methylpyrrolidin-1-yl]methanone
PubChem CID170768284
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Namecyclopropyl-[2-(fluoromethyl)-4-methylpyrrolidin-1-yl]methanone
SMILESCC1CC(CF)N(C(=O)C2CC2)C1
InChIInChI=1S/C10H16FNO/c1-7-4-9(5-11)12(6-7)10(13)8-2-3-8/h7-9H,2-6H2,1H3
InChIKeyPWHRSVKEXIYCCT-UHFFFAOYSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(fluoromethyl)-4-methylpyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[2-(fluoromethyl)-4-methylpyrrolidin-1-yl]methanone (CID 170768284) is cyclopropyl-[2-(fluoromethyl)-4-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-(fluoromethyl)-4-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[2-(fluoromethyl)-4-methylpyrrolidin-1-yl]methanone is CC1CC(CF)N(C(=O)C2CC2)C1.
What is the InChIKey of cyclopropyl-[2-(fluoromethyl)-4-methylpyrrolidin-1-yl]methanone?
The InChIKey is PWHRSVKEXIYCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-7-4-9(5-11)12(6-7)10(13)8-2-3-8/h7-9H,2-6H2,1H3.
What are the key properties of cyclopropyl-[2-(fluoromethyl)-4-methylpyrrolidin-1-yl]methanone?
cyclopropyl-[2-(fluoromethyl)-4-methylpyrrolidin-1-yl]methanone has a molecular weight of 185.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(fluoromethyl)-4-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 170768284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).