7-(difluoromethyl)-1-benzothiophene-2,4-diamine

C9H8F2N2S — CID 130803243

IUPAC7-(difluoromethyl)-1-benzothiophene-2,4-diamine
SMILESNc1cc2c(N)ccc(C(F)F)c2s1
InChIInChI=1S/C9H8F2N2S/c10-9(11)4-1-2-6(12)5-3-7(13)14-8(4)5/h1-3,9H,12-13H2
InChIKeyMRFAJOZFBZNDHJ-UHFFFAOYSA-N
MW214.24 g/mol
LogP3.00
Rot. Bonds1

About 7-(difluoromethyl)-1-benzothiophene-2,4-diamine

7-(difluoromethyl)-1-benzothiophene-2,4-diamine (PubChem CID 130803243) has the molecular formula C9H8F2N2S and a molecular weight of 214.24 g/mol. Its IUPAC name is 7-(difluoromethyl)-1-benzothiophene-2,4-diamine.

Molecular Properties

Compound Name7-(difluoromethyl)-1-benzothiophene-2,4-diamine
PubChem CID130803243
Molecular FormulaC9H8F2N2S
Molecular Weight214.24 g/mol
Exact Mass214.04
IUPAC Name7-(difluoromethyl)-1-benzothiophene-2,4-diamine
SMILESNc1cc2c(N)ccc(C(F)F)c2s1
InChIInChI=1S/C9H8F2N2S/c10-9(11)4-1-2-6(12)5-3-7(13)14-8(4)5/h1-3,9H,12-13H2
InChIKeyMRFAJOZFBZNDHJ-UHFFFAOYSA-N
XLogP3.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-(difluoromethyl)-4-methyl-1-benzothiophene-2-thiol
CID 131034069
4-(difluoromethyl)-1-benzothiophene-6,7-diamine
CID 130884046
2-(difluoromethyl)-4-methoxyaniline
CID 45091134
4,7-dimethyl-1-benzothiophen-2-amine
CID 131095149
6-amino-3-(difluoromethyl)-1-benzothiophene-7-thiol
CID 130854955
4-chloro-5-(difluoromethyl)-1-benzothiophen-7-amine
CID 130926303
thieno[3,2-e][1]benzothiole-2,7-diamine
CID 69036958
7-(difluoromethyl)-2-fluoro-1-benzothiophen-6-amine
CID 131215588
5-(difluoromethyl)-7-iodo-1-benzothiophen-2-amine
CID 130866163
5-(difluoromethyl)-7-methyl-1-benzothiophen-2-amine
CID 130884100
4-amino-7-iodo-1-benzothiophene-2-thiol
CID 130951779
2-amino-7-methoxy-1-benzothiophene-4-thiol
CID 130820839

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-1-benzothiophene-2,4-diamine?
The IUPAC name of 7-(difluoromethyl)-1-benzothiophene-2,4-diamine (CID 130803243) is 7-(difluoromethyl)-1-benzothiophene-2,4-diamine.
What is the SMILES notation for 7-(difluoromethyl)-1-benzothiophene-2,4-diamine?
The canonical SMILES for 7-(difluoromethyl)-1-benzothiophene-2,4-diamine is Nc1cc2c(N)ccc(C(F)F)c2s1.
What is the InChIKey of 7-(difluoromethyl)-1-benzothiophene-2,4-diamine?
The InChIKey is MRFAJOZFBZNDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2S/c10-9(11)4-1-2-6(12)5-3-7(13)14-8(4)5/h1-3,9H,12-13H2.
What are the key properties of 7-(difluoromethyl)-1-benzothiophene-2,4-diamine?
7-(difluoromethyl)-1-benzothiophene-2,4-diamine has a molecular weight of 214.24 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-1-benzothiophene-2,4-diamine is sourced from PubChem (CID 130803243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).