1-[1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol

C17H20FNOS — CID 110022563

IUPAC1-[1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccc(-c3ccccc3F)s2)C1
InChIInChI=1S/C17H20FNOS/c1-12(20)13-8-9-19(10-13)11-14-6-7-17(21-14)15-4-2-3-5-16(15)18/h2-7,12-13,20H,8-11H2,1H3
InChIKeyLQUFQVZGBIZMAA-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.76
Rot. Bonds4

About 1-[1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol

1-[1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 110022563) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID110022563
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC Name1-[1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2ccc(-c3ccccc3F)s2)C1
InChIInChI=1S/C17H20FNOS/c1-12(20)13-8-9-19(10-13)11-14-6-7-17(21-14)15-4-2-3-5-16(15)18/h2-7,12-13,20H,8-11H2,1H3
InChIKeyLQUFQVZGBIZMAA-UHFFFAOYSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol
CID 110022549
(2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide
CID 35262712
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
N-[2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 55940485
1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperazine
CID 97254929
N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide
CID 56808058
1-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703611
1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine
CID 55573570
1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol
CID 103656926
[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55573164
(2S)-1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid
CID 122038693

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol (CID 110022563) is 1-[1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(Cc2ccc(-c3ccccc3F)s2)C1.
What is the InChIKey of 1-[1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is LQUFQVZGBIZMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-12(20)13-8-9-19(10-13)11-14-6-7-17(21-14)15-4-2-3-5-16(15)18/h2-7,12-13,20H,8-11H2,1H3.
What are the key properties of 1-[1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol?
1-[1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 305.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 110022563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).