(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine

C11H8Br2FNO — CID 66425063

IUPAC(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine
SMILESNC(c1cc(F)cc(Br)c1)c1occc1Br
InChIInChI=1S/C11H8Br2FNO/c12-7-3-6(4-8(14)5-7)10(15)11-9(13)1-2-16-11/h1-5,10H,15H2
InChIKeyUWXRQFUCXWBFGZ-UHFFFAOYSA-N
MW349.00 g/mol
LogP3.99
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine

(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine (PubChem CID 66425063) has the molecular formula C11H8Br2FNO and a molecular weight of 349.00 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine
PubChem CID66425063
Molecular FormulaC11H8Br2FNO
Molecular Weight349.00 g/mol
Exact Mass346.90
IUPAC Name(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine
SMILESNC(c1cc(F)cc(Br)c1)c1occc1Br
InChIInChI=1S/C11H8Br2FNO/c12-7-3-6(4-8(14)5-7)10(15)11-9(13)1-2-16-11/h1-5,10H,15H2
InChIKeyUWXRQFUCXWBFGZ-UHFFFAOYSA-N
XLogP3.99
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.00
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanol
CID 66423642
(3-bromofuran-2-yl)-(3-fluorophenyl)methanamine
CID 63941261
(2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine
CID 115861677
(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-5-fluorophenyl)methanamine
CID 106762682
(3-bromofuran-2-yl)-pyridin-4-ylmethanamine
CID 63942832
(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine
CID 66423670
(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 66425066
2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol
CID 106886287
(3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine
CID 79523074
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-bromo-5-fluorophenyl)methanamine
CID 43248371
(3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine
CID 64713982
3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline
CID 105150495

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine?
The IUPAC name of (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine (CID 66425063) is (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine is NC(c1cc(F)cc(Br)c1)c1occc1Br.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine?
The InChIKey is UWXRQFUCXWBFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2FNO/c12-7-3-6(4-8(14)5-7)10(15)11-9(13)1-2-16-11/h1-5,10H,15H2.
What are the key properties of (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine?
(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine has a molecular weight of 349.00 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine is sourced from PubChem (CID 66425063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).