(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine

C13H9F2NS2 — CID 80733937

IUPAC(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESNC(c1cc2sccc2s1)c1cc(F)ccc1F
InChIInChI=1S/C13H9F2NS2/c14-7-1-2-9(15)8(5-7)13(16)12-6-11-10(18-12)3-4-17-11/h1-6,13H,16H2
InChIKeyONCICEKTVFHXPA-UHFFFAOYSA-N
MW281.35 g/mol
LogP4.29
Rot. Bonds2

About (2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine

(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 80733937) has the molecular formula C13H9F2NS2 and a molecular weight of 281.35 g/mol. Its IUPAC name is (2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound Name(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID80733937
Molecular FormulaC13H9F2NS2
Molecular Weight281.35 g/mol
Exact Mass281.01
IUPAC Name(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESNC(c1cc2sccc2s1)c1cc(F)ccc1F
InChIInChI=1S/C13H9F2NS2/c14-7-1-2-9(15)8(5-7)13(16)12-6-11-10(18-12)3-4-17-11/h1-6,13H,16H2
InChIKeyONCICEKTVFHXPA-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80744859
(2,4-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 80745410
(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 80536196
(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 115795113
[4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine
CID 107291822
(4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 106764406
(5-bromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 43464242
1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine
CID 80733291
(4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745335
(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 43384394
2-(2,5-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115809913
(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733537

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of (2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine (CID 80733937) is (2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for (2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for (2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine is NC(c1cc2sccc2s1)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is ONCICEKTVFHXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NS2/c14-7-1-2-9(15)8(5-7)13(16)12-6-11-10(18-12)3-4-17-11/h1-6,13H,16H2.
What are the key properties of (2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 281.35 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 80733937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).