(3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine

C11H8BrF2NO — CID 79523074

IUPAC(3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine
SMILESNC(c1occc1Br)c1c(F)cccc1F
InChIInChI=1S/C11H8BrF2NO/c12-6-4-5-16-11(6)10(15)9-7(13)2-1-3-8(9)14/h1-5,10H,15H2
InChIKeyOIFALTCRYQGRLK-UHFFFAOYSA-N
MW288.09 g/mol
LogP3.37
Rot. Bonds2

About (3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine

(3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine (PubChem CID 79523074) has the molecular formula C11H8BrF2NO and a molecular weight of 288.09 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine
PubChem CID79523074
Molecular FormulaC11H8BrF2NO
Molecular Weight288.09 g/mol
Exact Mass286.98
IUPAC Name(3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine
SMILESNC(c1occc1Br)c1c(F)cccc1F
InChIInChI=1S/C11H8BrF2NO/c12-6-4-5-16-11(6)10(15)9-7(13)2-1-3-8(9)14/h1-5,10H,15H2
InChIKeyOIFALTCRYQGRLK-UHFFFAOYSA-N
XLogP3.37
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromofuran-2-yl)-(3-fluorophenyl)methanamine
CID 63941261
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
(3-bromofuran-2-yl)-(3-chloro-2-fluorophenyl)methanamine
CID 64713982
(2-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine
CID 115861677
(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine
CID 66425063
(3-bromofuran-2-yl)-quinolin-2-ylmethanamine
CID 63941679
(2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine
CID 107993309
(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 114558834
(3-bromofuran-2-yl)-pyridin-4-ylmethanamine
CID 63942832
3-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylaniline
CID 105150495
1-benzofuran-2-yl-(3-bromofuran-2-yl)methanamine
CID 63944229
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,6-difluorophenyl)methanamine
CID 43152734

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine?
The IUPAC name of (3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine (CID 79523074) is (3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine.
What is the SMILES notation for (3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine?
The canonical SMILES for (3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine is NC(c1occc1Br)c1c(F)cccc1F.
What is the InChIKey of (3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine?
The InChIKey is OIFALTCRYQGRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2NO/c12-6-4-5-16-11(6)10(15)9-7(13)2-1-3-8(9)14/h1-5,10H,15H2.
What are the key properties of (3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine?
(3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine has a molecular weight of 288.09 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(2,6-difluorophenyl)methanamine is sourced from PubChem (CID 79523074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).