2-[(3-fluoropyrrolidin-1-yl)methyl]cyclohexan-1-one

C11H18FNO — CID 164651213

IUPAC2-[(3-fluoropyrrolidin-1-yl)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1CN1CCC(F)C1
InChIInChI=1S/C11H18FNO/c12-10-5-6-13(8-10)7-9-3-1-2-4-11(9)14/h9-10H,1-8H2
InChIKeyNWRGHLLKUCLEOC-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.79
Rot. Bonds2

About 2-[(3-fluoropyrrolidin-1-yl)methyl]cyclohexan-1-one

2-[(3-fluoropyrrolidin-1-yl)methyl]cyclohexan-1-one (PubChem CID 164651213) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-[(3-fluoropyrrolidin-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(3-fluoropyrrolidin-1-yl)methyl]cyclohexan-1-one
PubChem CID164651213
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name2-[(3-fluoropyrrolidin-1-yl)methyl]cyclohexan-1-one
SMILESO=C1CCCCC1CN1CCC(F)C1
InChIInChI=1S/C11H18FNO/c12-10-5-6-13(8-10)7-9-3-1-2-4-11(9)14/h9-10H,1-8H2
InChIKeyNWRGHLLKUCLEOC-UHFFFAOYSA-N
XLogP1.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.79
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)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(3-fluoropyrrolidin-1-yl)methyl]cyclohexan-1-one (CID 164651213) is 2-[(3-fluoropyrrolidin-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(3-fluoropyrrolidin-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(3-fluoropyrrolidin-1-yl)methyl]cyclohexan-1-one is O=C1CCCCC1CN1CCC(F)C1.
What is the InChIKey of 2-[(3-fluoropyrrolidin-1-yl)methyl]cyclohexan-1-one?
The InChIKey is NWRGHLLKUCLEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c12-10-5-6-13(8-10)7-9-3-1-2-4-11(9)14/h9-10H,1-8H2.
What are the key properties of 2-[(3-fluoropyrrolidin-1-yl)methyl]cyclohexan-1-one?
2-[(3-fluoropyrrolidin-1-yl)methyl]cyclohexan-1-one has a molecular weight of 199.27 g/mol, XLogP of 1.79, 2 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)methyl]cyclohexan-1-one is sourced from PubChem (CID 164651213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).