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

C6H12FNO — CID 72619547

IUPAC(4-fluoro-1-methylpyrrolidin-2-yl)methanol
SMILESCN1CC(F)CC1CO
InChIInChI=1S/C6H12FNO/c1-8-3-5(7)2-6(8)4-9/h5-6,9H,2-4H2,1H3
InChIKeyPVVBFPXFGPDGGN-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.02
Rot. Bonds1

About (4-fluoro-1-methylpyrrolidin-2-yl)methanol

(4-fluoro-1-methylpyrrolidin-2-yl)methanol (PubChem CID 72619547) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (4-fluoro-1-methylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-1-methylpyrrolidin-2-yl)methanol
PubChem CID72619547
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(4-fluoro-1-methylpyrrolidin-2-yl)methanol
SMILESCN1CC(F)CC1CO
InChIInChI=1S/C6H12FNO/c1-8-3-5(7)2-6(8)4-9/h5-6,9H,2-4H2,1H3
InChIKeyPVVBFPXFGPDGGN-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 (4-fluoro-1-methylpyrrolidin-2-yl)methanol?
The IUPAC name of (4-fluoro-1-methylpyrrolidin-2-yl)methanol (CID 72619547) is (4-fluoro-1-methylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (4-fluoro-1-methylpyrrolidin-2-yl)methanol?
The canonical SMILES for (4-fluoro-1-methylpyrrolidin-2-yl)methanol is CN1CC(F)CC1CO.
What is the InChIKey of (4-fluoro-1-methylpyrrolidin-2-yl)methanol?
The InChIKey is PVVBFPXFGPDGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-8-3-5(7)2-6(8)4-9/h5-6,9H,2-4H2,1H3.
What are the key properties of (4-fluoro-1-methylpyrrolidin-2-yl)methanol?
(4-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 (4-fluoro-1-methylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 72619547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).