[(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-2-yl]methanol

C8H16FNO — CID 130757224

IUPAC[(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-2-yl]methanol
SMILESCC(C)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C8H16FNO/c1-6(2)10-4-7(9)3-8(10)5-11/h6-8,11H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyWVSANILFMGFLCB-YUMQZZPRSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds2

About [(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-2-yl]methanol

[(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-2-yl]methanol (PubChem CID 130757224) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-2-yl]methanol
PubChem CID130757224
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name[(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-2-yl]methanol
SMILESCC(C)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C8H16FNO/c1-6(2)10-4-7(9)3-8(10)5-11/h6-8,11H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyWVSANILFMGFLCB-YUMQZZPRSA-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

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-2-yl]methanol (CID 130757224) is [(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-2-yl]methanol is CC(C)N1C[C@@H](F)C[C@H]1CO.
What is the InChIKey of [(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-2-yl]methanol?
The InChIKey is WVSANILFMGFLCB-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6(2)10-4-7(9)3-8(10)5-11/h6-8,11H,3-5H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-propan-2-ylpyrrolidin-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,4S)-4-fluoro-1-propan-2-ylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 130757224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).