2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine

C12H10BrClFNO — CID 106691816

IUPAC2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1F)c1ccc(Cl)o1
InChIInChI=1S/C12H10BrClFNO/c13-8-2-1-7(9(15)6-8)5-10(16)11-3-4-12(14)17-11/h1-4,6,10H,5,16H2
InChIKeyDLSUKSLLPDDVDG-UHFFFAOYSA-N
MW318.57 g/mol
LogP4.08
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine

2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine (PubChem CID 106691816) has the molecular formula C12H10BrClFNO and a molecular weight of 318.57 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
PubChem CID106691816
Molecular FormulaC12H10BrClFNO
Molecular Weight318.57 g/mol
Exact Mass316.96
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1F)c1ccc(Cl)o1
InChIInChI=1S/C12H10BrClFNO/c13-8-2-1-7(9(15)6-8)5-10(16)11-3-4-12(14)17-11/h1-4,6,10H,5,16H2
InChIKeyDLSUKSLLPDDVDG-UHFFFAOYSA-N
XLogP4.08
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.57
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
CID 106693067
2-(4-bromo-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine
CID 115844529
1-(5-chlorofuran-2-yl)-2-(2,5-dichlorophenyl)ethanamine
CID 106692129
2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491392
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114894465
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 105055587
3-(4-bromo-2-fluorophenyl)propane-1,2-diamine;hydrochloride
CID 170892207
2-chloro-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]furan
CID 106689828
2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396
2-(4-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79781021
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine (CID 106691816) is 2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine is NC(Cc1ccc(Br)cc1F)c1ccc(Cl)o1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine?
The InChIKey is DLSUKSLLPDDVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNO/c13-8-2-1-7(9(15)6-8)5-10(16)11-3-4-12(14)17-11/h1-4,6,10H,5,16H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine?
2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine has a molecular weight of 318.57 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine is sourced from PubChem (CID 106691816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).