(4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine

C11H6Br2F3NS — CID 80532887

IUPAC(4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1cc(Br)c(Br)s1)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H6Br2F3NS/c12-5-3-8(18-11(5)13)10(17)9-6(15)1-4(14)2-7(9)16/h1-3,10H,17H2
InChIKeyGBEHWFRXDDKDMA-UHFFFAOYSA-N
MW401.05 g/mol
LogP4.74
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine

(4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine (PubChem CID 80532887) has the molecular formula C11H6Br2F3NS and a molecular weight of 401.05 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
PubChem CID80532887
Molecular FormulaC11H6Br2F3NS
Molecular Weight401.05 g/mol
Exact Mass398.85
IUPAC Name(4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1cc(Br)c(Br)s1)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H6Br2F3NS/c12-5-3-8(18-11(5)13)10(17)9-6(15)1-4(14)2-7(9)16/h1-3,10H,17H2
InChIKeyGBEHWFRXDDKDMA-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.05
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 80536196
(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 80533023
(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 80536104
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 80533099
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 79981146
(6-fluoro-1-benzothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81115335
(4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879530
(5-bromothiophen-3-yl)-(2,4,6-trifluorophenyl)methanamine
CID 107960534
(4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 80536315
(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 114558834
(4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 105010511
(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methanamine
CID 80532994

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine (CID 80532887) is (4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine is NC(c1cc(Br)c(Br)s1)c1c(F)cc(F)cc1F.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is GBEHWFRXDDKDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2F3NS/c12-5-3-8(18-11(5)13)10(17)9-6(15)1-4(14)2-7(9)16/h1-3,10H,17H2.
What are the key properties of (4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine?
(4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 401.05 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 80532887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).