(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine

C15H9F4NS — CID 81115335

IUPAC(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1cc2ccc(F)cc2s1)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H9F4NS/c16-8-2-1-7-3-13(21-12(7)6-8)15(20)14-10(18)4-9(17)5-11(14)19/h1-6,15H,20H2
InChIKeyWPFZOIKHGOFCHL-UHFFFAOYSA-N
MW311.30 g/mol
LogP4.51
Rot. Bonds2

About (6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine

(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine (PubChem CID 81115335) has the molecular formula C15H9F4NS and a molecular weight of 311.30 g/mol. Its IUPAC name is (6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
PubChem CID81115335
Molecular FormulaC15H9F4NS
Molecular Weight311.30 g/mol
Exact Mass311.04
IUPAC Name(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1cc2ccc(F)cc2s1)c1c(F)cc(F)cc1F
InChIInChI=1S/C15H9F4NS/c16-8-2-1-7-3-13(21-12(7)6-8)15(20)14-10(18)4-9(17)5-11(14)19/h1-6,15H,20H2
InChIKeyWPFZOIKHGOFCHL-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81115142
(6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990499
(2,3-difluoro-4-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 107515550
(4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81104853
(4-bromo-5-chlorothiophen-2-yl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 102828053
1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
(3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine
CID 105141971
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylprop-2-en-1-amine
CID 105005309
(6-fluoro-1-benzothiophen-2-yl)-(4-methyl-3-pyridinyl)methanamine
CID 105006430
(4-bromo-2,5-dimethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81115671
(6-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103135081
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine
CID 105017408

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of (6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine (CID 81115335) is (6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for (6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for (6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine is NC(c1cc2ccc(F)cc2s1)c1c(F)cc(F)cc1F.
What is the InChIKey of (6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is WPFZOIKHGOFCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4NS/c16-8-2-1-7-3-13(21-12(7)6-8)15(20)14-10(18)4-9(17)5-11(14)19/h1-6,15H,20H2.
What are the key properties of (6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine?
(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 311.30 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 81115335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).