2-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-one

C10H18FNO — CID 91003469

IUPAC2-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)C(C)N1CCC(F)C1
InChIInChI=1S/C10H18FNO/c1-7(2)10(13)8(3)12-5-4-9(11)6-12/h7-9H,4-6H2,1-3H3
InChIKeyOWHDUHOHYKUELO-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.64
Rot. Bonds3

About 2-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-one

2-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-one (PubChem CID 91003469) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-one.

Molecular Properties

Compound Name2-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-one
PubChem CID91003469
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name2-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)C(C)N1CCC(F)C1
InChIInChI=1S/C10H18FNO/c1-7(2)10(13)8(3)12-5-4-9(11)6-12/h7-9H,4-6H2,1-3H3
InChIKeyOWHDUHOHYKUELO-UHFFFAOYSA-N
XLogP1.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-one?
The IUPAC name of 2-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-one (CID 91003469) is 2-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-one.
What is the SMILES notation for 2-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-one?
The canonical SMILES for 2-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-one is CC(C)C(=O)C(C)N1CCC(F)C1.
What is the InChIKey of 2-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-one?
The InChIKey is OWHDUHOHYKUELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-7(2)10(13)8(3)12-5-4-9(11)6-12/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-one?
2-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-one has a molecular weight of 187.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropyrrolidin-1-yl)-4-methylpentan-3-one is sourced from PubChem (CID 91003469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).