(5-fluorothiophen-2-yl)-pyrrolidin-1-ylmethanone

C9H10FNOS — CID 170766752

IUPAC(5-fluorothiophen-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(F)s1)N1CCCC1
InChIInChI=1S/C9H10FNOS/c10-8-4-3-7(13-8)9(12)11-5-1-2-6-11/h3-4H,1-2,5-6H2
InChIKeyDJJABWWRGYDTDS-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.12
Rot. Bonds1

About (5-fluorothiophen-2-yl)-pyrrolidin-1-ylmethanone

(5-fluorothiophen-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 170766752) has the molecular formula C9H10FNOS and a molecular weight of 199.25 g/mol. Its IUPAC name is (5-fluorothiophen-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-fluorothiophen-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID170766752
Molecular FormulaC9H10FNOS
Molecular Weight199.25 g/mol
Exact Mass199.05
IUPAC Name(5-fluorothiophen-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(F)s1)N1CCCC1
InChIInChI=1S/C9H10FNOS/c10-8-4-3-7(13-8)9(12)11-5-1-2-6-11/h3-4H,1-2,5-6H2
InChIKeyDJJABWWRGYDTDS-UHFFFAOYSA-N
XLogP2.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
(5-fluorothiophen-2-yl)-[4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 166792027
N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide
CID 60705923
(E)-3-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]prop-2-enoic acid
CID 94231025
pyrrolidin-1-yl-[5-(2,4,5-trifluoro-3-hydroxyphenyl)thiophen-2-yl]methanone
CID 170590797
N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424
methyl 5-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]thiophene-2-carboxylate
CID 78850342
[5-(4-fluorophenyl)thiophen-2-yl]-[(4S)-4-methylazepan-1-yl]methanone
CID 97023625
2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone
CID 9117201
azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 60634850
azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
CID 58955900
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192

Frequently Asked Questions

What is the IUPAC name of (5-fluorothiophen-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-fluorothiophen-2-yl)-pyrrolidin-1-ylmethanone (CID 170766752) is (5-fluorothiophen-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-fluorothiophen-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-fluorothiophen-2-yl)-pyrrolidin-1-ylmethanone is O=C(c1ccc(F)s1)N1CCCC1.
What is the InChIKey of (5-fluorothiophen-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is DJJABWWRGYDTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNOS/c10-8-4-3-7(13-8)9(12)11-5-1-2-6-11/h3-4H,1-2,5-6H2.
What are the key properties of (5-fluorothiophen-2-yl)-pyrrolidin-1-ylmethanone?
(5-fluorothiophen-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 199.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluorothiophen-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 170766752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).