(2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine

C12H9Br2F2NOS — CID 43345041

IUPAC(2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1ccccc1OC(F)F)c1cc(Br)sc1Br
InChIInChI=1S/C12H9Br2F2NOS/c13-9-5-7(11(14)19-9)10(17)6-3-1-2-4-8(6)18-12(15)16/h1-5,10,12H,17H2
InChIKeyXQGAFZFIQFECLJ-UHFFFAOYSA-N
MW413.08 g/mol
LogP4.92
Rot. Bonds4

About (2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine

(2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine (PubChem CID 43345041) has the molecular formula C12H9Br2F2NOS and a molecular weight of 413.08 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine
PubChem CID43345041
Molecular FormulaC12H9Br2F2NOS
Molecular Weight413.08 g/mol
Exact Mass410.87
IUPAC Name(2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine
SMILESNC(c1ccccc1OC(F)F)c1cc(Br)sc1Br
InChIInChI=1S/C12H9Br2F2NOS/c13-9-5-7(11(14)19-9)10(17)6-3-1-2-4-8(6)18-12(15)16/h1-5,10,12H,17H2
InChIKeyXQGAFZFIQFECLJ-UHFFFAOYSA-N
XLogP4.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.08
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine
CID 43345009
(5-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 61102058
[2-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanamine
CID 43322455
(3-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 80535218
(5-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 43140072
(2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine
CID 43344658
[(2,5-dibromothiophen-3-yl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 107970496
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
[2-(difluoromethoxy)phenyl]-(3-methylphenyl)methanamine
CID 115790299
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107961099
[2-(difluoromethoxy)phenyl]-pyrimidin-5-ylmethanamine
CID 115827479
[2-(difluoromethoxy)phenyl]-(5-fluoro-3-pyridinyl)methanamine
CID 115805107

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine?
The IUPAC name of (2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine (CID 43345041) is (2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine is NC(c1ccccc1OC(F)F)c1cc(Br)sc1Br.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine?
The InChIKey is XQGAFZFIQFECLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2F2NOS/c13-9-5-7(11(14)19-9)10(17)6-3-1-2-4-8(6)18-12(15)16/h1-5,10,12H,17H2.
What are the key properties of (2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine?
(2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine has a molecular weight of 413.08 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 43345041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).