2,2-difluoro-N-methyl-2-thiophen-2-ylethanamine

C7H9F2NS — CID 83107390

IUPAC2,2-difluoro-N-methyl-2-thiophen-2-ylethanamine
SMILESCNCC(F)(F)c1cccs1
InChIInChI=1S/C7H9F2NS/c1-10-5-7(8,9)6-3-2-4-11-6/h2-4,10H,5H2,1H3
InChIKeyOAPFLRKUFSHCMU-UHFFFAOYSA-N
MW177.22 g/mol
LogP2.06
Rot. Bonds3

About 2,2-difluoro-N-methyl-2-thiophen-2-ylethanamine

2,2-difluoro-N-methyl-2-thiophen-2-ylethanamine (PubChem CID 83107390) has the molecular formula C7H9F2NS and a molecular weight of 177.22 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-2-thiophen-2-ylethanamine
PubChem CID83107390
Molecular FormulaC7H9F2NS
Molecular Weight177.22 g/mol
Exact Mass177.04
IUPAC Name2,2-difluoro-N-methyl-2-thiophen-2-ylethanamine
SMILESCNCC(F)(F)c1cccs1
InChIInChI=1S/C7H9F2NS/c1-10-5-7(8,9)6-3-2-4-11-6/h2-4,10H,5H2,1H3
InChIKeyOAPFLRKUFSHCMU-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[chloro(difluoro)methyl]thiophene
CID 15727491
2-(2-azido-1,1-difluoroethyl)thiophene
CID 166604060
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CID 62725876
1-(methylamino)-1-thiophen-2-ylpropan-1-ol
CID 23070248
3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine
CID 116839610
1,1,3-trifluoro-1-thiophen-2-ylpropan-2-one
CID 14717701
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)thiophene
CID 10601524
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)thiophene
CID 14400022
2-(2-bromopropan-2-yl)thiophene
CID 174915633
N-(2-methyl-2-thiophen-2-ylpropyl)-N'-(2,2,2-trifluoroethyl)propanediamide
CID 75451079
4-(2,2-difluoro-2-thiophen-2-ylethyl)piperidine
CID 116840351
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 104859799

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-2-thiophen-2-ylethanamine?
The IUPAC name of 2,2-difluoro-N-methyl-2-thiophen-2-ylethanamine (CID 83107390) is 2,2-difluoro-N-methyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 2,2-difluoro-N-methyl-2-thiophen-2-ylethanamine?
The canonical SMILES for 2,2-difluoro-N-methyl-2-thiophen-2-ylethanamine is CNCC(F)(F)c1cccs1.
What is the InChIKey of 2,2-difluoro-N-methyl-2-thiophen-2-ylethanamine?
The InChIKey is OAPFLRKUFSHCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NS/c1-10-5-7(8,9)6-3-2-4-11-6/h2-4,10H,5H2,1H3.
What are the key properties of 2,2-difluoro-N-methyl-2-thiophen-2-ylethanamine?
2,2-difluoro-N-methyl-2-thiophen-2-ylethanamine has a molecular weight of 177.22 g/mol, XLogP of 2.06, 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-methyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 83107390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).