(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)methanamine

C9H10FNS — CID 43115259

IUPAC(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)methanamine
SMILESNCC1Cc2c(F)cccc2S1
InChIInChI=1S/C9H10FNS/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-3,6H,4-5,11H2
InChIKeyHPDNTTKECZIDPN-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.80
Rot. Bonds1

About (4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)methanamine

(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)methanamine (PubChem CID 43115259) has the molecular formula C9H10FNS and a molecular weight of 183.25 g/mol. Its IUPAC name is (4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)methanamine
PubChem CID43115259
Molecular FormulaC9H10FNS
Molecular Weight183.25 g/mol
Exact Mass183.05
IUPAC Name(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)methanamine
SMILESNCC1Cc2c(F)cccc2S1
InChIInChI=1S/C9H10FNS/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-3,6H,4-5,11H2
InChIKeyHPDNTTKECZIDPN-UHFFFAOYSA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)methanamine (CID 43115259) is (4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)methanamine is NCC1Cc2c(F)cccc2S1.
What is the InChIKey of (4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)methanamine?
The InChIKey is HPDNTTKECZIDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNS/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-3,6H,4-5,11H2.
What are the key properties of (4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)methanamine?
(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)methanamine has a molecular weight of 183.25 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 43115259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).