3-(fluoromethyl)-1-methylpyrrolidin-2-ol

C6H12FNO — CID 130392099

IUPAC3-(fluoromethyl)-1-methylpyrrolidin-2-ol
SMILESCN1CCC(CF)C1O
InChIInChI=1S/C6H12FNO/c1-8-3-2-5(4-7)6(8)9/h5-6,9H,2-4H2,1H3
InChIKeyWSUNZIPTDHABMM-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.23
Rot. Bonds1

About 3-(fluoromethyl)-1-methylpyrrolidin-2-ol

3-(fluoromethyl)-1-methylpyrrolidin-2-ol (PubChem CID 130392099) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-methylpyrrolidin-2-ol.

Molecular Properties

Compound Name3-(fluoromethyl)-1-methylpyrrolidin-2-ol
PubChem CID130392099
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name3-(fluoromethyl)-1-methylpyrrolidin-2-ol
SMILESCN1CCC(CF)C1O
InChIInChI=1S/C6H12FNO/c1-8-3-2-5(4-7)6(8)9/h5-6,9H,2-4H2,1H3
InChIKeyWSUNZIPTDHABMM-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
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-2-ol?
The IUPAC name of 3-(fluoromethyl)-1-methylpyrrolidin-2-ol (CID 130392099) is 3-(fluoromethyl)-1-methylpyrrolidin-2-ol.
What is the SMILES notation for 3-(fluoromethyl)-1-methylpyrrolidin-2-ol?
The canonical SMILES for 3-(fluoromethyl)-1-methylpyrrolidin-2-ol is CN1CCC(CF)C1O.
What is the InChIKey of 3-(fluoromethyl)-1-methylpyrrolidin-2-ol?
The InChIKey is WSUNZIPTDHABMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-8-3-2-5(4-7)6(8)9/h5-6,9H,2-4H2,1H3.
What are the key properties of 3-(fluoromethyl)-1-methylpyrrolidin-2-ol?
3-(fluoromethyl)-1-methylpyrrolidin-2-ol has a molecular weight of 133.17 g/mol, XLogP of 0.23, 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-2-ol is sourced from PubChem (CID 130392099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).