N-(2,3,5,6-tetrafluorophenyl)-2,3-dihydro-1-benzothiophen-3-amine

C14H9F4NS — CID 107644128

IUPACN-(2,3,5,6-tetrafluorophenyl)-2,3-dihydro-1-benzothiophen-3-amine
SMILESFc1cc(F)c(F)c(NC2CSc3ccccc32)c1F
InChIInChI=1S/C14H9F4NS/c15-8-5-9(16)13(18)14(12(8)17)19-10-6-20-11-4-2-1-3-7(10)11/h1-5,10,19H,6H2
InChIKeyFGRAIAYPAGZGPC-UHFFFAOYSA-N
MW299.29 g/mol
LogP4.50
Rot. Bonds2

About N-(2,3,5,6-tetrafluorophenyl)-2,3-dihydro-1-benzothiophen-3-amine

N-(2,3,5,6-tetrafluorophenyl)-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 107644128) has the molecular formula C14H9F4NS and a molecular weight of 299.29 g/mol. Its IUPAC name is N-(2,3,5,6-tetrafluorophenyl)-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-(2,3,5,6-tetrafluorophenyl)-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID107644128
Molecular FormulaC14H9F4NS
Molecular Weight299.29 g/mol
Exact Mass299.04
IUPAC NameN-(2,3,5,6-tetrafluorophenyl)-2,3-dihydro-1-benzothiophen-3-amine
SMILESFc1cc(F)c(F)c(NC2CSc3ccccc32)c1F
InChIInChI=1S/C14H9F4NS/c15-8-5-9(16)13(18)14(12(8)17)19-10-6-20-11-4-2-1-3-7(10)11/h1-5,10,19H,6H2
InChIKeyFGRAIAYPAGZGPC-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichloro-4-fluorophenyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 107573009
N-(2,6-dibromophenyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 107597735
N-(4-fluoro-3-methoxyphenyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 114838892
N-(2,4,5-trifluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62815698
N-(5-bromo-4-fluoro-2-methylphenyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 107591731
N-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 78993268
N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 107619047
N-(2,3-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 61075905
2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol
CID 81302336
N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62811074
3-N-[(3S)-2,3-dihydro-1-benzothiophen-3-yl]-1-N-methylbenzene-1,3-dicarboxamide
CID 97216887
N-(2-fluoro-6-nitrophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 81305887

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6-tetrafluorophenyl)-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-(2,3,5,6-tetrafluorophenyl)-2,3-dihydro-1-benzothiophen-3-amine (CID 107644128) is N-(2,3,5,6-tetrafluorophenyl)-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-(2,3,5,6-tetrafluorophenyl)-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-(2,3,5,6-tetrafluorophenyl)-2,3-dihydro-1-benzothiophen-3-amine is Fc1cc(F)c(F)c(NC2CSc3ccccc32)c1F.
What is the InChIKey of N-(2,3,5,6-tetrafluorophenyl)-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is FGRAIAYPAGZGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NS/c15-8-5-9(16)13(18)14(12(8)17)19-10-6-20-11-4-2-1-3-7(10)11/h1-5,10,19H,6H2.
What are the key properties of N-(2,3,5,6-tetrafluorophenyl)-2,3-dihydro-1-benzothiophen-3-amine?
N-(2,3,5,6-tetrafluorophenyl)-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 299.29 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6-tetrafluorophenyl)-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 107644128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).