N-ethyl-4,7-difluoro-2,3-dihydro-1-benzothiophen-3-amine

C10H11F2NS — CID 43539577

IUPACN-ethyl-4,7-difluoro-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCNC1CSc2c(F)ccc(F)c21
InChIInChI=1S/C10H11F2NS/c1-2-13-8-5-14-10-7(12)4-3-6(11)9(8)10/h3-4,8,13H,2,5H2,1H3
InChIKeyGXLUQOCYZNWIHQ-UHFFFAOYSA-N
MW215.27 g/mol
LogP2.72
Rot. Bonds2

About N-ethyl-4,7-difluoro-2,3-dihydro-1-benzothiophen-3-amine

N-ethyl-4,7-difluoro-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 43539577) has the molecular formula C10H11F2NS and a molecular weight of 215.27 g/mol. Its IUPAC name is N-ethyl-4,7-difluoro-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-ethyl-4,7-difluoro-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID43539577
Molecular FormulaC10H11F2NS
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-ethyl-4,7-difluoro-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCNC1CSc2c(F)ccc(F)c21
InChIInChI=1S/C10H11F2NS/c1-2-13-8-5-14-10-7(12)4-3-6(11)9(8)10/h3-4,8,13H,2,5H2,1H3
InChIKeyGXLUQOCYZNWIHQ-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,7-difluoro-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-ethyl-4,7-difluoro-2,3-dihydro-1-benzothiophen-3-amine (CID 43539577) is N-ethyl-4,7-difluoro-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-ethyl-4,7-difluoro-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-ethyl-4,7-difluoro-2,3-dihydro-1-benzothiophen-3-amine is CCNC1CSc2c(F)ccc(F)c21.
What is the InChIKey of N-ethyl-4,7-difluoro-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is GXLUQOCYZNWIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NS/c1-2-13-8-5-14-10-7(12)4-3-6(11)9(8)10/h3-4,8,13H,2,5H2,1H3.
What are the key properties of N-ethyl-4,7-difluoro-2,3-dihydro-1-benzothiophen-3-amine?
N-ethyl-4,7-difluoro-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 215.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,7-difluoro-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 43539577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).