N-(2,2-difluoroethyl)-N-propyl-2-thiophen-3-ylacetamide

C11H15F2NOS — CID 122136118

IUPACN-(2,2-difluoroethyl)-N-propyl-2-thiophen-3-ylacetamide
SMILESCCCN(CC(F)F)C(=O)Cc1ccsc1
InChIInChI=1S/C11H15F2NOS/c1-2-4-14(7-10(12)13)11(15)6-9-3-5-16-8-9/h3,5,8,10H,2,4,6-7H2,1H3
InChIKeyIBSSBBATSRPOIC-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.79
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-propyl-2-thiophen-3-ylacetamide

N-(2,2-difluoroethyl)-N-propyl-2-thiophen-3-ylacetamide (PubChem CID 122136118) has the molecular formula C11H15F2NOS and a molecular weight of 247.31 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-propyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-propyl-2-thiophen-3-ylacetamide
PubChem CID122136118
Molecular FormulaC11H15F2NOS
Molecular Weight247.31 g/mol
Exact Mass247.08
IUPAC NameN-(2,2-difluoroethyl)-N-propyl-2-thiophen-3-ylacetamide
SMILESCCCN(CC(F)F)C(=O)Cc1ccsc1
InChIInChI=1S/C11H15F2NOS/c1-2-4-14(7-10(12)13)11(15)6-9-3-5-16-8-9/h3,5,8,10H,2,4,6-7H2,1H3
InChIKeyIBSSBBATSRPOIC-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-2-thiophen-3-ylacetamide
CID 2517958
Icosa-5,8,11,14-tetraenoic acid (2-thiophen-3-yl-ethyl)-amide
CID 11090957
N,N-dimethyl-2-(thiophen-3-yl)acetamide
CID 23273495
N-Isopropyl-2-(thiophen-3-YL)acetamide
CID 23548834
1-Piperidin-1-yl-3-thiophen-3-ylpropan-1-one
CID 39958563
1-(Azocan-1-yl)-3-thiophen-3-ylpropan-1-one
CID 39952105
1-(4-Methyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone
CID 40234771
3-Thiophen-3-yl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 45798471
1-(3,5-Dimethylpiperidin-1-yl)-3-thiophen-3-ylpropan-1-one
CID 45843069
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(3-thienyl)acetamide
CID 91797603
(2S)-2-methyl-N-(2-thiophen-3-ylethyl)butanamide
CID 93612453
1-[3-(Fluoromethyl)azetidin-1-yl]-2-thiophen-3-ylethanone
CID 121189002

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-propyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-propyl-2-thiophen-3-ylacetamide (CID 122136118) is N-(2,2-difluoroethyl)-N-propyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-propyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-propyl-2-thiophen-3-ylacetamide is CCCN(CC(F)F)C(=O)Cc1ccsc1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-propyl-2-thiophen-3-ylacetamide?
The InChIKey is IBSSBBATSRPOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NOS/c1-2-4-14(7-10(12)13)11(15)6-9-3-5-16-8-9/h3,5,8,10H,2,4,6-7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-propyl-2-thiophen-3-ylacetamide?
N-(2,2-difluoroethyl)-N-propyl-2-thiophen-3-ylacetamide has a molecular weight of 247.31 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-propyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 122136118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).