[(2R,4S)-1-(aminomethyl)-4-fluoropyrrolidin-2-yl]methanol

C6H13FN2O — CID 174257314

IUPAC[(2R,4S)-1-(aminomethyl)-4-fluoropyrrolidin-2-yl]methanol
SMILESNCN1C[C@@H](F)C[C@@H]1CO
InChIInChI=1S/C6H13FN2O/c7-5-1-6(3-10)9(2-5)4-8/h5-6,10H,1-4,8H2/t5-,6+/m0/s1
InChIKeyAVAWJSNMBRMMDL-NTSWFWBYSA-N
MW148.18 g/mol
LogP-0.69
Rot. Bonds2

About [(2R,4S)-1-(aminomethyl)-4-fluoropyrrolidin-2-yl]methanol

[(2R,4S)-1-(aminomethyl)-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 174257314) has the molecular formula C6H13FN2O and a molecular weight of 148.18 g/mol. Its IUPAC name is [(2R,4S)-1-(aminomethyl)-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-1-(aminomethyl)-4-fluoropyrrolidin-2-yl]methanol
PubChem CID174257314
Molecular FormulaC6H13FN2O
Molecular Weight148.18 g/mol
Exact Mass148.10
IUPAC Name[(2R,4S)-1-(aminomethyl)-4-fluoropyrrolidin-2-yl]methanol
SMILESNCN1C[C@@H](F)C[C@@H]1CO
InChIInChI=1S/C6H13FN2O/c7-5-1-6(3-10)9(2-5)4-8/h5-6,10H,1-4,8H2/t5-,6+/m0/s1
InChIKeyAVAWJSNMBRMMDL-NTSWFWBYSA-N
XLogP-0.69
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 14641509
(R)-2-(Hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
4-Amino-1-(2-fluoroethyl)-2-pyrrolidinemethanol
CID 19880422
[(2S,4S)-4-amino-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
CID 57221083
(S)-(1-(2-Fluoroethyl)pyrrolidin-2-yl)methanol
CID 79326811
[(2R)-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
CID 80601924
[1-(2-Fluoroethyl)pyrrolidin-2-yl]methanol
CID 80602029
(2R,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbothioamide
CID 89133900
[(2S)-1-(fluoromethyl)pyrrolidin-2-yl]methanol
CID 142957540
[1-(Fluoromethyl)pyrrolidin-2-yl]methanol
CID 174732693
(1-(2-Aminoethyl)-4,4-difluoropyrrolidin-2-yl)methanol
CID 121204063
4,4-Difluoro-2-(hydroxymethyl)pyrrolidine-1-carboximidamide
CID 121204084

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-1-(aminomethyl)-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,4S)-1-(aminomethyl)-4-fluoropyrrolidin-2-yl]methanol (CID 174257314) is [(2R,4S)-1-(aminomethyl)-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,4S)-1-(aminomethyl)-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,4S)-1-(aminomethyl)-4-fluoropyrrolidin-2-yl]methanol is NCN1C[C@@H](F)C[C@@H]1CO.
What is the InChIKey of [(2R,4S)-1-(aminomethyl)-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is AVAWJSNMBRMMDL-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H13FN2O/c7-5-1-6(3-10)9(2-5)4-8/h5-6,10H,1-4,8H2/t5-,6+/m0/s1.
What are the key properties of [(2R,4S)-1-(aminomethyl)-4-fluoropyrrolidin-2-yl]methanol?
[(2R,4S)-1-(aminomethyl)-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 148.18 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-1-(aminomethyl)-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 174257314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).