[2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine

C9H9BrF3NO — CID 107532733

IUPAC[2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine
SMILESNCc1ccc(OCC(F)F)c(F)c1Br
InChIInChI=1S/C9H9BrF3NO/c10-8-5(3-14)1-2-6(9(8)13)15-4-7(11)12/h1-2,7H,3-4,14H2
InChIKeyMAPVQOIEANWFBB-UHFFFAOYSA-N
MW284.07 g/mol
LogP2.69
Rot. Bonds4

About [2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine

[2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine (PubChem CID 107532733) has the molecular formula C9H9BrF3NO and a molecular weight of 284.07 g/mol. Its IUPAC name is [2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine
PubChem CID107532733
Molecular FormulaC9H9BrF3NO
Molecular Weight284.07 g/mol
Exact Mass282.98
IUPAC Name[2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine
SMILESNCc1ccc(OCC(F)F)c(F)c1Br
InChIInChI=1S/C9H9BrF3NO/c10-8-5(3-14)1-2-6(9(8)13)15-4-7(11)12/h1-2,7H,3-4,14H2
InChIKeyMAPVQOIEANWFBB-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol
CID 107532624
1-bromo-4-(2,2-difluoroethoxy)-2,3-difluorobenzene
CID 138986532
2-bromo-4-(2,2-difluoroethoxy)-3-fluorobenzonitrile
CID 107534426
[2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine
CID 107532694
[2-bromo-3-fluoro-4-(4-methylphenoxy)phenyl]methanamine
CID 107532608
[2-bromo-4-(3,4-dimethylcyclohexyl)oxy-3-fluorophenyl]methanamine
CID 107532712
[2-bromo-4-(2-bromo-4-methylphenoxy)-3-fluorophenyl]methanamine
CID 107532667
(2-bromo-3-fluoro-4-octan-2-yloxyphenyl)methanamine
CID 107532631
[2-bromo-4-(3,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 107532595
1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711
2-(bromomethyl)-1-(2,2-difluoroethoxy)-4-fluorobenzene
CID 107699186
1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene
CID 65203003

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine?
The IUPAC name of [2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine (CID 107532733) is [2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine.
What is the SMILES notation for [2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine?
The canonical SMILES for [2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine is NCc1ccc(OCC(F)F)c(F)c1Br.
What is the InChIKey of [2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine?
The InChIKey is MAPVQOIEANWFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO/c10-8-5(3-14)1-2-6(9(8)13)15-4-7(11)12/h1-2,7H,3-4,14H2.
What are the key properties of [2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine?
[2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine has a molecular weight of 284.07 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(2,2-difluoroethoxy)-3-fluorophenyl]methanamine is sourced from PubChem (CID 107532733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).