(3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine

C15H10F3NS — CID 105141971

IUPAC(3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine
SMILESNC(c1cc(F)cc(F)c1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H10F3NS/c16-10-1-2-13-8(3-10)6-14(20-13)15(19)9-4-11(17)7-12(18)5-9/h1-7,15H,19H2
InChIKeyRVIOONBWXNFDJC-UHFFFAOYSA-N
MW293.31 g/mol
LogP4.37
Rot. Bonds2

About (3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine

(3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine (PubChem CID 105141971) has the molecular formula C15H10F3NS and a molecular weight of 293.31 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine
PubChem CID105141971
Molecular FormulaC15H10F3NS
Molecular Weight293.31 g/mol
Exact Mass293.05
IUPAC Name(3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine
SMILESNC(c1cc(F)cc(F)c1)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H10F3NS/c16-10-1-2-13-8(3-10)6-14(20-13)15(19)9-4-11(17)7-12(18)5-9/h1-7,15H,19H2
InChIKeyRVIOONBWXNFDJC-UHFFFAOYSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-1-benzothiophen-2-yl)-phenylmethanamine
CID 105083659
(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268334
(5-fluoro-1-benzothiophen-2-yl)-(4-propylphenyl)methanamine
CID 105144310
(5-fluoro-1-benzothiophen-2-yl)-(3-propylphenyl)methanamine
CID 105187860
(5-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 105148552
(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81115335
1-(5-fluoro-1-benzothiophen-2-yl)hexan-1-amine
CID 105129507
(4-ethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81104853
(5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol
CID 105078220
N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 19846311
2-(5-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117121247
(5-fluoro-1-benzothiophen-2-yl)-thiophen-3-ylmethanol
CID 105102714

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine (CID 105141971) is (3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine is NC(c1cc(F)cc(F)c1)c1cc2cc(F)ccc2s1.
What is the InChIKey of (3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine?
The InChIKey is RVIOONBWXNFDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NS/c16-10-1-2-13-8(3-10)6-14(20-13)15(19)9-4-11(17)7-12(18)5-9/h1-7,15H,19H2.
What are the key properties of (3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine?
(3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine has a molecular weight of 293.31 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 105141971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).