2-fluoro-5-phenyl-6,7-dihydro-4H-1-benzothiophen-5-amine

C14H14FNS — CID 177304910

IUPAC2-fluoro-5-phenyl-6,7-dihydro-4H-1-benzothiophen-5-amine
SMILESNC1(c2ccccc2)CCc2sc(F)cc2C1
InChIInChI=1S/C14H14FNS/c15-13-8-10-9-14(16,7-6-12(10)17-13)11-4-2-1-3-5-11/h1-5,8H,6-7,9,16H2
InChIKeyNDQUFSBGEHOCSS-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.23
Rot. Bonds1

About 2-fluoro-5-phenyl-6,7-dihydro-4H-1-benzothiophen-5-amine

2-fluoro-5-phenyl-6,7-dihydro-4H-1-benzothiophen-5-amine (PubChem CID 177304910) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-fluoro-5-phenyl-6,7-dihydro-4H-1-benzothiophen-5-amine.

Molecular Properties

Compound Name2-fluoro-5-phenyl-6,7-dihydro-4H-1-benzothiophen-5-amine
PubChem CID177304910
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC Name2-fluoro-5-phenyl-6,7-dihydro-4H-1-benzothiophen-5-amine
SMILESNC1(c2ccccc2)CCc2sc(F)cc2C1
InChIInChI=1S/C14H14FNS/c15-13-8-10-9-14(16,7-6-12(10)17-13)11-4-2-1-3-5-11/h1-5,8H,6-7,9,16H2
InChIKeyNDQUFSBGEHOCSS-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-phenyl-6,7-dihydro-4H-1-benzothiophen-5-amine?
The IUPAC name of 2-fluoro-5-phenyl-6,7-dihydro-4H-1-benzothiophen-5-amine (CID 177304910) is 2-fluoro-5-phenyl-6,7-dihydro-4H-1-benzothiophen-5-amine.
What is the SMILES notation for 2-fluoro-5-phenyl-6,7-dihydro-4H-1-benzothiophen-5-amine?
The canonical SMILES for 2-fluoro-5-phenyl-6,7-dihydro-4H-1-benzothiophen-5-amine is NC1(c2ccccc2)CCc2sc(F)cc2C1.
What is the InChIKey of 2-fluoro-5-phenyl-6,7-dihydro-4H-1-benzothiophen-5-amine?
The InChIKey is NDQUFSBGEHOCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c15-13-8-10-9-14(16,7-6-12(10)17-13)11-4-2-1-3-5-11/h1-5,8H,6-7,9,16H2.
What are the key properties of 2-fluoro-5-phenyl-6,7-dihydro-4H-1-benzothiophen-5-amine?
2-fluoro-5-phenyl-6,7-dihydro-4H-1-benzothiophen-5-amine has a molecular weight of 247.34 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-phenyl-6,7-dihydro-4H-1-benzothiophen-5-amine is sourced from PubChem (CID 177304910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).