N-ethyl-2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide

C9H11F2NOS — CID 103514741

IUPACN-ethyl-2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)C(F)F
InChIInChI=1S/C9H11F2NOS/c1-2-12(9(13)8(10)11)6-7-4-3-5-14-7/h3-5,8H,2,6H2,1H3
InChIKeyKUVXCJVHETYGCE-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.36
Rot. Bonds4

About N-ethyl-2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide

N-ethyl-2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 103514741) has the molecular formula C9H11F2NOS and a molecular weight of 219.26 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide
PubChem CID103514741
Molecular FormulaC9H11F2NOS
Molecular Weight219.26 g/mol
Exact Mass219.05
IUPAC NameN-ethyl-2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide
SMILESCCN(Cc1cccs1)C(=O)C(F)F
InChIInChI=1S/C9H11F2NOS/c1-2-12(9(13)8(10)11)6-7-4-3-5-14-7/h3-5,8H,2,6H2,1H3
InChIKeyKUVXCJVHETYGCE-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide (CID 103514741) is N-ethyl-2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide is CCN(Cc1cccs1)C(=O)C(F)F.
What is the InChIKey of N-ethyl-2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KUVXCJVHETYGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NOS/c1-2-12(9(13)8(10)11)6-7-4-3-5-14-7/h3-5,8H,2,6H2,1H3.
What are the key properties of N-ethyl-2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide?
N-ethyl-2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 219.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 103514741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).