2-[(3R,4S)-3-amino-4-fluoro-1-methylpyrrolidin-3-yl]ethanol

C7H15FN2O — CID 143715176

IUPAC2-[(3R,4S)-3-amino-4-fluoro-1-methylpyrrolidin-3-yl]ethanol
SMILESCN1C[C@H](F)[C@@](N)(CCO)C1
InChIInChI=1S/C7H15FN2O/c1-10-4-6(8)7(9,5-10)2-3-11/h6,11H,2-5,9H2,1H3/t6-,7+/m0/s1
InChIKeyGALUHBZOBVAEMQ-NKWVEPMBSA-N
MW162.21 g/mol
LogP-0.65
Rot. Bonds2

About 2-[(3R,4S)-3-amino-4-fluoro-1-methylpyrrolidin-3-yl]ethanol

2-[(3R,4S)-3-amino-4-fluoro-1-methylpyrrolidin-3-yl]ethanol (PubChem CID 143715176) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is 2-[(3R,4S)-3-amino-4-fluoro-1-methylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3R,4S)-3-amino-4-fluoro-1-methylpyrrolidin-3-yl]ethanol
PubChem CID143715176
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name2-[(3R,4S)-3-amino-4-fluoro-1-methylpyrrolidin-3-yl]ethanol
SMILESCN1C[C@H](F)[C@@](N)(CCO)C1
InChIInChI=1S/C7H15FN2O/c1-10-4-6(8)7(9,5-10)2-3-11/h6,11H,2-5,9H2,1H3/t6-,7+/m0/s1
InChIKeyGALUHBZOBVAEMQ-NKWVEPMBSA-N
XLogP-0.65
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-Amino-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol
CID 83916917
3-(3-Amino-1-methylpyrrolidin-3-yl)propan-1-ol
CID 58293389
3-(3-Amino-1-methylpyrrolidin-3-yl)propan-1-ol;ethane
CID 123406656
[4-(2-Hydroxyethyl)-1-methylpyrrolidin-3-yl]azanide
CID 141855182
2-[1-Cyclopropyl-3-(propylamino)pyrrolidin-3-yl]ethanol
CID 65234436
2-[3-(Methylamino)-1-propan-2-ylpyrrolidin-3-yl]ethanol
CID 65234629
2-[3-(Ethylamino)-1-propan-2-ylpyrrolidin-3-yl]ethanol
CID 65234875
2-[1-Methyl-3-(methylamino)pyrrolidin-3-yl]ethanol
CID 65234922
2-[1-Cyclopropyl-3-(methylamino)pyrrolidin-3-yl]ethanol
CID 65234974
2-[1-Propan-2-yl-3-(propylamino)pyrrolidin-3-yl]ethanol
CID 65235143
2-[3-(Ethylamino)-1-methylpyrrolidin-3-yl]ethanol
CID 65235168
2-[1-Cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]ethanol
CID 65235169

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-amino-4-fluoro-1-methylpyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[(3R,4S)-3-amino-4-fluoro-1-methylpyrrolidin-3-yl]ethanol (CID 143715176) is 2-[(3R,4S)-3-amino-4-fluoro-1-methylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[(3R,4S)-3-amino-4-fluoro-1-methylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[(3R,4S)-3-amino-4-fluoro-1-methylpyrrolidin-3-yl]ethanol is CN1C[C@H](F)[C@@](N)(CCO)C1.
What is the InChIKey of 2-[(3R,4S)-3-amino-4-fluoro-1-methylpyrrolidin-3-yl]ethanol?
The InChIKey is GALUHBZOBVAEMQ-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H15FN2O/c1-10-4-6(8)7(9,5-10)2-3-11/h6,11H,2-5,9H2,1H3/t6-,7+/m0/s1.
What are the key properties of 2-[(3R,4S)-3-amino-4-fluoro-1-methylpyrrolidin-3-yl]ethanol?
2-[(3R,4S)-3-amino-4-fluoro-1-methylpyrrolidin-3-yl]ethanol has a molecular weight of 162.21 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-amino-4-fluoro-1-methylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 143715176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).