[3-bromo-5-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine

C10H10BrF4NO — CID 102814566

IUPAC[3-bromo-5-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine
SMILESNCc1cc(Br)cc(OCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H10BrF4NO/c11-7-1-6(4-16)2-8(3-7)17-5-10(14,15)9(12)13/h1-3,9H,4-5,16H2
InChIKeyRQDOYHLWGWNVNV-UHFFFAOYSA-N
MW316.09 g/mol
LogP3.19
Rot. Bonds5

About [3-bromo-5-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine

[3-bromo-5-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine (PubChem CID 102814566) has the molecular formula C10H10BrF4NO and a molecular weight of 316.09 g/mol. Its IUPAC name is [3-bromo-5-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-5-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine
PubChem CID102814566
Molecular FormulaC10H10BrF4NO
Molecular Weight316.09 g/mol
Exact Mass314.99
IUPAC Name[3-bromo-5-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine
SMILESNCc1cc(Br)cc(OCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H10BrF4NO/c11-7-1-6(4-16)2-8(3-7)17-5-10(14,15)9(12)13/h1-3,9H,4-5,16H2
InChIKeyRQDOYHLWGWNVNV-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.09
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-Bromo-5-methoxyphenyl)ethan-1-amine
CID 10609476
[3-(2,2,2-Trifluoroethoxy)phenyl]methanamine
CID 16776002
3-Bromo-5-methoxybenzenemethanamine
CID 53414441
[3-(2,2-Difluoroethoxy)phenyl]methanamine
CID 47003268
(5-Bromo-2-(difluoromethoxy)phenyl)methanamine hydrochloride
CID 47002945
1-[3-Bromo-5-(trifluoromethoxy)phenyl]methanamine hydrochloride
CID 165669400
1-[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]methanamine hydrochloride
CID 167714755
[5-Bromo-2-(difluoromethoxy)phenyl]methanamine
CID 28981756
[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]methanediamine
CID 17770024
Benzenemethanamine, 3-(1,1,2,2-tetrafluoroethoxy)-
CID 18407225
3-(2,2,3,3-Tetrafluoropropoxy)benzylamine
CID 29004952
3-Bromo-5-(trifluoromethoxy)benzylamine
CID 53414437

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine?
The IUPAC name of [3-bromo-5-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine (CID 102814566) is [3-bromo-5-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine.
What is the SMILES notation for [3-bromo-5-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine?
The canonical SMILES for [3-bromo-5-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine is NCc1cc(Br)cc(OCC(F)(F)C(F)F)c1.
What is the InChIKey of [3-bromo-5-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine?
The InChIKey is RQDOYHLWGWNVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF4NO/c11-7-1-6(4-16)2-8(3-7)17-5-10(14,15)9(12)13/h1-3,9H,4-5,16H2.
What are the key properties of [3-bromo-5-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine?
[3-bromo-5-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine has a molecular weight of 316.09 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-(2,2,3,3-tetrafluoropropoxy)phenyl]methanamine is sourced from PubChem (CID 102814566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).