1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine

C14H15F4NS — CID 79660798

IUPAC1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1csc2ccccc12)C(F)(F)C(F)F
InChIInChI=1S/C14H15F4NS/c1-2-7-19-12(14(17,18)13(15)16)10-8-20-11-6-4-3-5-9(10)11/h3-6,8,12-13,19H,2,7H2,1H3
InChIKeyHLGJUBHFWOQATH-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.84
Rot. Bonds6

About 1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine

1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine (PubChem CID 79660798) has the molecular formula C14H15F4NS and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
PubChem CID79660798
Molecular FormulaC14H15F4NS
Molecular Weight305.34 g/mol
Exact Mass305.09
IUPAC Name1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1csc2ccccc12)C(F)(F)C(F)F
InChIInChI=1S/C14H15F4NS/c1-2-7-19-12(14(17,18)13(15)16)10-8-20-11-6-4-3-5-9(10)11/h3-6,8,12-13,19H,2,7H2,1H3
InChIKeyHLGJUBHFWOQATH-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine with MolForge

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Related Compounds

N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
CID 43497207
1-(1-benzothiophen-3-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43497197
1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine
CID 104995348
1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine
CID 43497176
N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine
CID 43497218
ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
CID 62699635
methyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
CID 62699634
1-(1-benzothiophen-3-yl)-N-propylhex-4-yn-1-amine
CID 105037075
N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 79973512
N-[1-benzothiophen-3-yl-(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 106684309
1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 43492291
1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 80535785

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine (CID 79660798) is 1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine is CCCNC(c1csc2ccccc12)C(F)(F)C(F)F.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
The InChIKey is HLGJUBHFWOQATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NS/c1-2-7-19-12(14(17,18)13(15)16)10-8-20-11-6-4-3-5-9(10)11/h3-6,8,12-13,19H,2,7H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine?
1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine has a molecular weight of 305.34 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine is sourced from PubChem (CID 79660798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).