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

C13H20FNOS — CID 131946906

IUPAC(3R,4R)-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-/m1/s1
InChIKeyFWJQKZVPFWESTB-CHWSQXEVSA-N
MW257.37 g/mol
LogP2.46
Rot. Bonds4

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

(3R,4R)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 131946906) has the molecular formula C13H20FNOS and a molecular weight of 257.37 g/mol. Its IUPAC name is (3R,4R)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol
PubChem CID131946906
Molecular FormulaC13H20FNOS
Molecular Weight257.37 g/mol
Exact Mass257.12
IUPAC Name(3R,4R)-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-/m1/s1
InChIKeyFWJQKZVPFWESTB-CHWSQXEVSA-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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Related Compounds

4-[1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine
CID 131893420
(1S,3R)-3-(2-hydroxyethoxy)-7-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-7-azaspiro[3.5]nonan-1-ol
CID 133130332
1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-3,4-diol
CID 106672227
[(4aS,8aS)-1-methyl-7-[[5-(2-methylpropyl)thiophen-2-yl]methyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
CID 135118141
2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107557099
(3S,4S)-4-fluoro-1-[(4-methylnaphthalen-1-yl)methyl]pyrrolidin-3-ol
CID 164626099
(3S)-1-[(5-propan-2-ylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 171586281
5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol
CID 143591547
2-[(5-ethylthiophen-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399482
(3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol
CID 131891791
[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]methanamine
CID 107555516
(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol
CID 176977042

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol (CID 131946906) is (3R,4R)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-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 (3R,4R)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol?
The InChIKey is FWJQKZVPFWESTB-CHWSQXEVSA-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-/m1/s1.
What are the key properties of (3R,4R)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol?
(3R,4R)-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 (3R,4R)-4-fluoro-1-[[5-(2-methylpropyl)thiophen-2-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 131946906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).