N-(3,3,3-trifluoropropyl)-1-benzothiophen-5-amine

C11H10F3NS — CID 64983077

IUPACN-(3,3,3-trifluoropropyl)-1-benzothiophen-5-amine
SMILESFC(F)(F)CCNc1ccc2sccc2c1
InChIInChI=1S/C11H10F3NS/c12-11(13,14)4-5-15-9-1-2-10-8(7-9)3-6-16-10/h1-3,6-7,15H,4-5H2
InChIKeyVVCWDCNMGFHDJY-UHFFFAOYSA-N
MW245.27 g/mol
LogP4.27
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)-1-benzothiophen-5-amine

N-(3,3,3-trifluoropropyl)-1-benzothiophen-5-amine (PubChem CID 64983077) has the molecular formula C11H10F3NS and a molecular weight of 245.27 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-1-benzothiophen-5-amine
PubChem CID64983077
Molecular FormulaC11H10F3NS
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC NameN-(3,3,3-trifluoropropyl)-1-benzothiophen-5-amine
SMILESFC(F)(F)CCNc1ccc2sccc2c1
InChIInChI=1S/C11H10F3NS/c12-11(13,14)4-5-15-9-1-2-10-8(7-9)3-6-16-10/h1-3,6-7,15H,4-5H2
InChIKeyVVCWDCNMGFHDJY-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-1-benzothiophen-5-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-1-benzothiophen-5-amine (CID 64983077) is N-(3,3,3-trifluoropropyl)-1-benzothiophen-5-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-1-benzothiophen-5-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-1-benzothiophen-5-amine is FC(F)(F)CCNc1ccc2sccc2c1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-1-benzothiophen-5-amine?
The InChIKey is VVCWDCNMGFHDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NS/c12-11(13,14)4-5-15-9-1-2-10-8(7-9)3-6-16-10/h1-3,6-7,15H,4-5H2.
What are the key properties of N-(3,3,3-trifluoropropyl)-1-benzothiophen-5-amine?
N-(3,3,3-trifluoropropyl)-1-benzothiophen-5-amine has a molecular weight of 245.27 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 64983077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).