(3-fluoro-1-methylpyrrolidin-2-yl)methanol

C6H12FNO — CID 163598879

IUPAC(3-fluoro-1-methylpyrrolidin-2-yl)methanol
SMILESCN1CCC(F)C1CO
InChIInChI=1S/C6H12FNO/c1-8-3-2-5(7)6(8)4-9/h5-6,9H,2-4H2,1H3
InChIKeyOITJDMSZPFAYRP-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.02
Rot. Bonds1

About (3-fluoro-1-methylpyrrolidin-2-yl)methanol

(3-fluoro-1-methylpyrrolidin-2-yl)methanol (PubChem CID 163598879) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (3-fluoro-1-methylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-1-methylpyrrolidin-2-yl)methanol
PubChem CID163598879
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(3-fluoro-1-methylpyrrolidin-2-yl)methanol
SMILESCN1CCC(F)C1CO
InChIInChI=1S/C6H12FNO/c1-8-3-2-5(7)6(8)4-9/h5-6,9H,2-4H2,1H3
InChIKeyOITJDMSZPFAYRP-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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Related Compounds

2-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 20607201
[(2R,3S)-3-methoxy-1-methylpyrrolidin-2-yl]methanol
CID 58778533
(2R,3R,4R)-2-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol
CID 164537384
2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine
CID 178125240
(2S,3R)-3-fluoro-1,2-dimethylpyrrolidine
CID 167399019
[(2S,3S)-2,4-dimethylmorpholin-3-yl]methanol
CID 155290860
2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid
CID 170368031
[(2S,3R)-3-fluoro-1-(3-phenylpropyl)pyrrolidin-2-yl]methanol
CID 129189898
(2R)-2-ethyl-1-methylpyrrolidin-3-ol
CID 143895673
(2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine
CID 168995661
2-(aminooxymethyl)-1-methylpyrrolidin-3-ol
CID 168881296
2-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]ethanol
CID 59659457

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1-methylpyrrolidin-2-yl)methanol?
The IUPAC name of (3-fluoro-1-methylpyrrolidin-2-yl)methanol (CID 163598879) is (3-fluoro-1-methylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (3-fluoro-1-methylpyrrolidin-2-yl)methanol?
The canonical SMILES for (3-fluoro-1-methylpyrrolidin-2-yl)methanol is CN1CCC(F)C1CO.
What is the InChIKey of (3-fluoro-1-methylpyrrolidin-2-yl)methanol?
The InChIKey is OITJDMSZPFAYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-8-3-2-5(7)6(8)4-9/h5-6,9H,2-4H2,1H3.
What are the key properties of (3-fluoro-1-methylpyrrolidin-2-yl)methanol?
(3-fluoro-1-methylpyrrolidin-2-yl)methanol 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-fluoro-1-methylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 163598879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).