(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine

C11H7Br2F2NS — CID 80536196

IUPAC(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
SMILESNC(c1cc(Br)c(Br)s1)c1cc(F)ccc1F
InChIInChI=1S/C11H7Br2F2NS/c12-7-4-9(17-11(7)13)10(16)6-3-5(14)1-2-8(6)15/h1-4,10H,16H2
InChIKeySRJAYHQPNBATHW-UHFFFAOYSA-N
MW383.06 g/mol
LogP4.60
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine

(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine (PubChem CID 80536196) has the molecular formula C11H7Br2F2NS and a molecular weight of 383.06 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
PubChem CID80536196
Molecular FormulaC11H7Br2F2NS
Molecular Weight383.06 g/mol
Exact Mass380.86
IUPAC Name(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
SMILESNC(c1cc(Br)c(Br)s1)c1cc(F)ccc1F
InChIInChI=1S/C11H7Br2F2NS/c12-7-4-9(17-11(7)13)10(16)6-3-5(14)1-2-8(6)15/h1-4,10H,16H2
InChIKeySRJAYHQPNBATHW-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.06
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 80536104
(5-bromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 43464242
(4,5-dibromothiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 80532887
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 80533099
(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733937
2,3-dibromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]thiophene
CID 80534504
(2-bromo-4-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79991953
(5-bromo-4-chlorothiophen-2-yl)-(2-chloro-4-fluorophenyl)methanamine
CID 80530924
(2,5-difluorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 43384394
(4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 105010511
(4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 80536315
2,3-dibromo-5-[chloro-(5-chloro-2-fluorophenyl)methyl]thiophene
CID 80534385

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine (CID 80536196) is (4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine is NC(c1cc(Br)c(Br)s1)c1cc(F)ccc1F.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine?
The InChIKey is SRJAYHQPNBATHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2F2NS/c12-7-4-9(17-11(7)13)10(16)6-3-5(14)1-2-8(6)15/h1-4,10H,16H2.
What are the key properties of (4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine?
(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine has a molecular weight of 383.06 g/mol, XLogP of 4.60, 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)-(2,5-difluorophenyl)methanamine is sourced from PubChem (CID 80536196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).