(3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone

C9H9F2NOS — CID 122269158

IUPAC(3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(F)(F)C1
InChIInChI=1S/C9H9F2NOS/c10-9(11)3-4-12(6-9)8(13)7-2-1-5-14-7/h1-2,5H,3-4,6H2
InChIKeyMRLXCJFYYKBOGQ-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.23
Rot. Bonds1

About (3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone

(3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone (PubChem CID 122269158) has the molecular formula C9H9F2NOS and a molecular weight of 217.24 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone
PubChem CID122269158
Molecular FormulaC9H9F2NOS
Molecular Weight217.24 g/mol
Exact Mass217.04
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(F)(F)C1
InChIInChI=1S/C9H9F2NOS/c10-9(11)3-4-12(6-9)8(13)7-2-1-5-14-7/h1-2,5H,3-4,6H2
InChIKeyMRLXCJFYYKBOGQ-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 115731719
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438
[1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone
CID 134074079
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
3-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164529
[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 124554551
1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110801970
4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 63125245

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone (CID 122269158) is (3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is MRLXCJFYYKBOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NOS/c10-9(11)3-4-12(6-9)8(13)7-2-1-5-14-7/h1-2,5H,3-4,6H2.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone?
(3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 217.24 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 122269158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).