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

C7H7F2NOS — CID 103600796

IUPAC2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(NCc1cccs1)C(F)F
InChIInChI=1S/C7H7F2NOS/c8-6(9)7(11)10-4-5-2-1-3-12-5/h1-3,6H,4H2,(H,10,11)
InChIKeyVDDYXZBJXAVAOU-UHFFFAOYSA-N
MW191.20 g/mol
LogP1.63
Rot. Bonds3

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

2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 103600796) has the molecular formula C7H7F2NOS and a molecular weight of 191.20 g/mol. Its IUPAC name is 2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide
PubChem CID103600796
Molecular FormulaC7H7F2NOS
Molecular Weight191.20 g/mol
Exact Mass191.02
IUPAC Name2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(NCc1cccs1)C(F)F
InChIInChI=1S/C7H7F2NOS/c8-6(9)7(11)10-4-5-2-1-3-12-5/h1-3,6H,4H2,(H,10,11)
InChIKeyVDDYXZBJXAVAOU-UHFFFAOYSA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(thiophen-2-yl)methyl]acetamide
CID 30617
((Thiophen-2-yl)methyl)urea
CID 2799110
N-[(thiophen-2-yl)methyl]cyclopropanecarboxamide
CID 2453059
3,3-dimethyl-N-(2-thienylmethyl)butanamide
CID 1246126
2-Bromo-N-[(thiophen-2-yl)methyl]acetamide
CID 16641278
Icosa-5,8,11,14-tetraenoic acid (thiophen-2-ylmethyl)-amide
CID 10272277
3-(2-thienyl)-N-(2-thienylmethyl)acrylamide
CID 845127
2-Cyano-N-(2-thienylmethyl)acetamide
CID 601924
2-chloro-N-((thiophen-2-yl)methyl)acetamide
CID 1805993
N-[(thiophen-2-yl)methyl]butanamide
CID 4117885
N-ethylthiophene-2-carboxamide
CID 5151566
N-(thiophen-2-ylmethyl)formamide
CID 21017864

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide (CID 103600796) is 2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide is O=C(NCc1cccs1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VDDYXZBJXAVAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NOS/c8-6(9)7(11)10-4-5-2-1-3-12-5/h1-3,6H,4H2,(H,10,11).
What are the key properties of 2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide?
2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 191.20 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 103600796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).