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

C6H12FNO — CID 174732693

IUPAC[1-(fluoromethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CF
InChIInChI=1S/C6H12FNO/c7-5-8-3-1-2-6(8)4-9/h6,9H,1-5H2
InChIKeyHIQIGGITVVHSGI-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.37
Rot. Bonds2

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

[1-(fluoromethyl)pyrrolidin-2-yl]methanol (PubChem CID 174732693) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is [1-(fluoromethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(fluoromethyl)pyrrolidin-2-yl]methanol
PubChem CID174732693
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name[1-(fluoromethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CF
InChIInChI=1S/C6H12FNO/c7-5-8-3-1-2-6(8)4-9/h6,9H,1-5H2
InChIKeyHIQIGGITVVHSGI-UHFFFAOYSA-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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Related Compounds

1-Methyl-2-pyrrolidinemethanol
CID 97836
(2S)-1-Methyl-2-pyrrolidinemethanol
CID 643492
[(2S)-1-Ethyl-2-Pyrrolidinyl]Methanol
CID 952319
((2R)-1-methylpyrrolidin-2-yl)methanol
CID 11007868
[1-(Prop-2-yn-1-yl)pyrrolidin-2-yl]methanol
CID 18616423
((2R)-1-ethylpyrrolidin-2-yl)methanol
CID 952320
(1-Propylpyrrolidin-2-yl)methanol
CID 23383549
1-[(2S)-1-methylpyrrolidin-2-yl]ethan-1-ol
CID 45087390
[(2S)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol
CID 64104040
(1S)-1-[(2S)-1-Methylpyrrolidin-2-yl]ethanol
CID 92979732
[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 121597861
(1-Ethylpyrrolidin-2-yl)methanol
CID 259087

Frequently Asked Questions

What is the IUPAC name of [1-(fluoromethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(fluoromethyl)pyrrolidin-2-yl]methanol (CID 174732693) is [1-(fluoromethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(fluoromethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(fluoromethyl)pyrrolidin-2-yl]methanol is OCC1CCCN1CF.
What is the InChIKey of [1-(fluoromethyl)pyrrolidin-2-yl]methanol?
The InChIKey is HIQIGGITVVHSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c7-5-8-3-1-2-6(8)4-9/h6,9H,1-5H2.
What are the key properties of [1-(fluoromethyl)pyrrolidin-2-yl]methanol?
[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 [1-(fluoromethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 174732693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).