[(3R)-1-(fluoromethyl)pyrrolidin-3-yl]methanol

C6H12FNO — CID 146629246

IUPAC[(3R)-1-(fluoromethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CCN(CF)C1
InChIInChI=1S/C6H12FNO/c7-5-8-2-1-6(3-8)4-9/h6,9H,1-5H2/t6-/m1/s1
InChIKeyIGSLEQGSCKHKQS-ZCFIWIBFSA-N
MW133.17 g/mol
LogP0.23
Rot. Bonds2

About [(3R)-1-(fluoromethyl)pyrrolidin-3-yl]methanol

[(3R)-1-(fluoromethyl)pyrrolidin-3-yl]methanol (PubChem CID 146629246) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is [(3R)-1-(fluoromethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(fluoromethyl)pyrrolidin-3-yl]methanol
PubChem CID146629246
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name[(3R)-1-(fluoromethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CCN(CF)C1
InChIInChI=1S/C6H12FNO/c7-5-8-2-1-6(3-8)4-9/h6,9H,1-5H2/t6-/m1/s1
InChIKeyIGSLEQGSCKHKQS-ZCFIWIBFSA-N
XLogP0.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(fluoromethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-(fluoromethyl)pyrrolidin-3-yl]methanol (CID 146629246) is [(3R)-1-(fluoromethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(fluoromethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(fluoromethyl)pyrrolidin-3-yl]methanol is OC[C@@H]1CCN(CF)C1.
What is the InChIKey of [(3R)-1-(fluoromethyl)pyrrolidin-3-yl]methanol?
The InChIKey is IGSLEQGSCKHKQS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12FNO/c7-5-8-2-1-6(3-8)4-9/h6,9H,1-5H2/t6-/m1/s1.
What are the key properties of [(3R)-1-(fluoromethyl)pyrrolidin-3-yl]methanol?
[(3R)-1-(fluoromethyl)pyrrolidin-3-yl]methanol has a molecular weight of 133.17 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(fluoromethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 146629246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).