[(2S)-1-(fluoromethyl)pyrrolidin-2-yl]methanol

C6H12FNO — CID 142957540

IUPAC[(2S)-1-(fluoromethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CF
InChIInChI=1S/C6H12FNO/c7-5-8-3-1-2-6(8)4-9/h6,9H,1-5H2/t6-/m0/s1
InChIKeyHIQIGGITVVHSGI-LURJTMIESA-N
MW133.17 g/mol
LogP0.37
Rot. Bonds2

About [(2S)-1-(fluoromethyl)pyrrolidin-2-yl]methanol

[(2S)-1-(fluoromethyl)pyrrolidin-2-yl]methanol (PubChem CID 142957540) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is [(2S)-1-(fluoromethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(fluoromethyl)pyrrolidin-2-yl]methanol
PubChem CID142957540
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name[(2S)-1-(fluoromethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1CF
InChIInChI=1S/C6H12FNO/c7-5-8-3-1-2-6(8)4-9/h6,9H,1-5H2/t6-/m0/s1
InChIKeyHIQIGGITVVHSGI-LURJTMIESA-N
XLogP0.37
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 ≤ 50.37
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 [(2S)-1-(fluoromethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(fluoromethyl)pyrrolidin-2-yl]methanol (CID 142957540) is [(2S)-1-(fluoromethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(fluoromethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(fluoromethyl)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1CF.
What is the InChIKey of [(2S)-1-(fluoromethyl)pyrrolidin-2-yl]methanol?
The InChIKey is HIQIGGITVVHSGI-LURJTMIESA-N. The full InChI is InChI=1S/C6H12FNO/c7-5-8-3-1-2-6(8)4-9/h6,9H,1-5H2/t6-/m0/s1.
What are the key properties of [(2S)-1-(fluoromethyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(fluoromethyl)pyrrolidin-2-yl]methanol has a molecular weight of 133.17 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(fluoromethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 142957540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).