3-(fluoromethyl)-1-methylpyrrolidin-3-ol

C6H12FNO — CID 126759752

IUPAC3-(fluoromethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(CF)C1
InChIInChI=1S/C6H12FNO/c1-8-3-2-6(9,4-7)5-8/h9H,2-5H2,1H3
InChIKeyLWYSBNPOJYKCNT-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.02
Rot. Bonds1

About 3-(fluoromethyl)-1-methylpyrrolidin-3-ol

3-(fluoromethyl)-1-methylpyrrolidin-3-ol (PubChem CID 126759752) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(fluoromethyl)-1-methylpyrrolidin-3-ol
PubChem CID126759752
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name3-(fluoromethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)(CF)C1
InChIInChI=1S/C6H12FNO/c1-8-3-2-6(9,4-7)5-8/h9H,2-5H2,1H3
InChIKeyLWYSBNPOJYKCNT-UHFFFAOYSA-N
XLogP0.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-(fluoromethyl)-1-methylpyrrolidin-3-ol (CID 126759752) is 3-(fluoromethyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-(fluoromethyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-(fluoromethyl)-1-methylpyrrolidin-3-ol is CN1CCC(O)(CF)C1.
What is the InChIKey of 3-(fluoromethyl)-1-methylpyrrolidin-3-ol?
The InChIKey is LWYSBNPOJYKCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-8-3-2-6(9,4-7)5-8/h9H,2-5H2,1H3.
What are the key properties of 3-(fluoromethyl)-1-methylpyrrolidin-3-ol?
3-(fluoromethyl)-1-methylpyrrolidin-3-ol has a molecular weight of 133.17 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 126759752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).