[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol

C8H16FNO — CID 164878963

IUPAC[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol
SMILESCC[C@@]1(CO)C[C@@H](F)CN1C
InChIInChI=1S/C8H16FNO/c1-3-8(6-11)4-7(9)5-10(8)2/h7,11H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyPCSAOUSGBCQQJU-SFYZADRCSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds2

About [(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol

[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol (PubChem CID 164878963) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is [(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol
PubChem CID164878963
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol
SMILESCC[C@@]1(CO)C[C@@H](F)CN1C
InChIInChI=1S/C8H16FNO/c1-3-8(6-11)4-7(9)5-10(8)2/h7,11H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyPCSAOUSGBCQQJU-SFYZADRCSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol (CID 164878963) is [(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol is CC[C@@]1(CO)C[C@@H](F)CN1C.
What is the InChIKey of [(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol?
The InChIKey is PCSAOUSGBCQQJU-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16FNO/c1-3-8(6-11)4-7(9)5-10(8)2/h7,11H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of [(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol?
[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol has a molecular weight of 161.22 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 164878963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).