1-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethanamine

C8H11F2NS — CID 45282705

IUPAC1-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethanamine
SMILESCc1cc(C(N)C(F)F)c(C)s1
InChIInChI=1S/C8H11F2NS/c1-4-3-6(5(2)12-4)7(11)8(9)10/h3,7-8H,11H2,1-2H3
InChIKeyTZWLSZAEOBVCQR-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.63
Rot. Bonds2

About 1-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethanamine

1-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethanamine (PubChem CID 45282705) has the molecular formula C8H11F2NS and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethanamine
PubChem CID45282705
Molecular FormulaC8H11F2NS
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethanamine
SMILESCc1cc(C(N)C(F)F)c(C)s1
InChIInChI=1S/C8H11F2NS/c1-4-3-6(5(2)12-4)7(11)8(9)10/h3,7-8H,11H2,1-2H3
InChIKeyTZWLSZAEOBVCQR-UHFFFAOYSA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethanamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethanamine (CID 45282705) is 1-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethanamine is Cc1cc(C(N)C(F)F)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethanamine?
The InChIKey is TZWLSZAEOBVCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NS/c1-4-3-6(5(2)12-4)7(11)8(9)10/h3,7-8H,11H2,1-2H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethanamine?
1-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethanamine has a molecular weight of 191.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2,2-difluoroethanamine is sourced from PubChem (CID 45282705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).