[(2S,4S)-4-amino-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol

C7H15FN2O — CID 57221083

IUPAC[(2S,4S)-4-amino-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
SMILESN[C@H]1C[C@@H](CO)N(CCF)C1
InChIInChI=1S/C7H15FN2O/c8-1-2-10-4-6(9)3-7(10)5-11/h6-7,11H,1-5,9H2/t6-,7-/m0/s1
InChIKeyXWJFKVRXHSDUQZ-BQBZGAKWSA-N
MW162.21 g/mol
LogP-0.65
Rot. Bonds3

About [(2S,4S)-4-amino-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol

[(2S,4S)-4-amino-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol (PubChem CID 57221083) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is [(2S,4S)-4-amino-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-amino-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
PubChem CID57221083
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name[(2S,4S)-4-amino-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
SMILESN[C@H]1C[C@@H](CO)N(CCF)C1
InChIInChI=1S/C7H15FN2O/c8-1-2-10-4-6(9)3-7(10)5-11/h6-7,11H,1-5,9H2/t6-,7-/m0/s1
InChIKeyXWJFKVRXHSDUQZ-BQBZGAKWSA-N
XLogP-0.65
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-amino-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-amino-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol (CID 57221083) is [(2S,4S)-4-amino-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-amino-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-amino-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol is N[C@H]1C[C@@H](CO)N(CCF)C1.
What is the InChIKey of [(2S,4S)-4-amino-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol?
The InChIKey is XWJFKVRXHSDUQZ-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15FN2O/c8-1-2-10-4-6(9)3-7(10)5-11/h6-7,11H,1-5,9H2/t6-,7-/m0/s1.
What are the key properties of [(2S,4S)-4-amino-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol?
[(2S,4S)-4-amino-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol has a molecular weight of 162.21 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-amino-1-(2-fluoroethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 57221083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).