(3S,4S)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol

C13H20FNOS — CID 164636285

IUPAC(3S,4S)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
SMILESCC(C)Cc1ccc(CN2C[C@H](O)[C@@H](F)C2)s1
InChIInChI=1S/C13H20FNOS/c1-9(2)5-10-3-4-11(17-10)6-15-7-12(14)13(16)8-15/h3-4,9,12-13,16H,5-8H2,1-2H3/t12-,13-/m0/s1
InChIKeyFWJQKZVPFWESTB-STQMWFEESA-N
MW257.37 g/mol
LogP2.46
Rot. Bonds4

About (3S,4S)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol

(3S,4S)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 164636285) has the molecular formula C13H20FNOS and a molecular weight of 257.37 g/mol. Its IUPAC name is (3S,4S)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
PubChem CID164636285
Molecular FormulaC13H20FNOS
Molecular Weight257.37 g/mol
Exact Mass257.12
IUPAC Name(3S,4S)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
SMILESCC(C)Cc1ccc(CN2C[C@H](O)[C@@H](F)C2)s1
InChIInChI=1S/C13H20FNOS/c1-9(2)5-10-3-4-11(17-10)6-15-7-12(14)13(16)8-15/h3-4,9,12-13,16H,5-8H2,1-2H3/t12-,13-/m0/s1
InChIKeyFWJQKZVPFWESTB-STQMWFEESA-N
XLogP2.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol (CID 164636285) is (3S,4S)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol is CC(C)Cc1ccc(CN2C[C@H](O)[C@@H](F)C2)s1.
What is the InChIKey of (3S,4S)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol?
The InChIKey is FWJQKZVPFWESTB-STQMWFEESA-N. The full InChI is InChI=1S/C13H20FNOS/c1-9(2)5-10-3-4-11(17-10)6-15-7-12(14)13(16)8-15/h3-4,9,12-13,16H,5-8H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (3S,4S)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol?
(3S,4S)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol has a molecular weight of 257.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 164636285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).