2-(difluoromethyl)-7-methyl-1-benzothiophen-5-amine

C10H9F2NS — CID 130805372

IUPAC2-(difluoromethyl)-7-methyl-1-benzothiophen-5-amine
SMILESCc1cc(N)cc2cc(C(F)F)sc12
InChIInChI=1S/C10H9F2NS/c1-5-2-7(13)3-6-4-8(10(11)12)14-9(5)6/h2-4,10H,13H2,1H3
InChIKeySHWOOFIURZTAMK-UHFFFAOYSA-N
MW213.25 g/mol
LogP3.73
Rot. Bonds1

About 2-(difluoromethyl)-7-methyl-1-benzothiophen-5-amine

2-(difluoromethyl)-7-methyl-1-benzothiophen-5-amine (PubChem CID 130805372) has the molecular formula C10H9F2NS and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-(difluoromethyl)-7-methyl-1-benzothiophen-5-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-7-methyl-1-benzothiophen-5-amine
PubChem CID130805372
Molecular FormulaC10H9F2NS
Molecular Weight213.25 g/mol
Exact Mass213.04
IUPAC Name2-(difluoromethyl)-7-methyl-1-benzothiophen-5-amine
SMILESCc1cc(N)cc2cc(C(F)F)sc12
InChIInChI=1S/C10H9F2NS/c1-5-2-7(13)3-6-4-8(10(11)12)14-9(5)6/h2-4,10H,13H2,1H3
InChIKeySHWOOFIURZTAMK-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethyl)-7-methyl-1-benzothiophen-2-amine
CID 130884100
7-methyl-1-benzothiophen-5-amine
CID 90308865
7-(difluoromethyl)-3-methyl-1-benzothiophen-5-amine
CID 131076036
2-(difluoromethyl)-4-methyl-1-benzothiophen-7-ol
CID 130914398
2-(difluoromethyl)-7-fluoro-1-benzothiophene-6-thiol
CID 130803203
2-(difluoromethyl)-4-iodo-1-benzothiophen-6-amine
CID 131030960
7-chloro-2-methyl-1-benzothiophen-5-amine
CID 130969769
7-methyl-5-methylsulfanyl-1-benzothiophen-2-amine
CID 131014208
2-(difluoromethyl)-6-methylpyridin-4-amine
CID 118295521
4-(difluoromethyl)-5-methylbenzene-1,2-diamine
CID 171010491
4-chloro-2-(difluoromethyl)-5-methyl-1-benzothiophene
CID 131075839
2-iodo-7-methylsulfanyl-1-benzothiophen-5-amine
CID 130816712

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-7-methyl-1-benzothiophen-5-amine?
The IUPAC name of 2-(difluoromethyl)-7-methyl-1-benzothiophen-5-amine (CID 130805372) is 2-(difluoromethyl)-7-methyl-1-benzothiophen-5-amine.
What is the SMILES notation for 2-(difluoromethyl)-7-methyl-1-benzothiophen-5-amine?
The canonical SMILES for 2-(difluoromethyl)-7-methyl-1-benzothiophen-5-amine is Cc1cc(N)cc2cc(C(F)F)sc12.
What is the InChIKey of 2-(difluoromethyl)-7-methyl-1-benzothiophen-5-amine?
The InChIKey is SHWOOFIURZTAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NS/c1-5-2-7(13)3-6-4-8(10(11)12)14-9(5)6/h2-4,10H,13H2,1H3.
What are the key properties of 2-(difluoromethyl)-7-methyl-1-benzothiophen-5-amine?
2-(difluoromethyl)-7-methyl-1-benzothiophen-5-amine has a molecular weight of 213.25 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-7-methyl-1-benzothiophen-5-amine is sourced from PubChem (CID 130805372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).