1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

C11H12BrF4NO — CID 103214921

IUPAC1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESNC(COCC(F)(F)F)Cc1cc(Br)ccc1F
InChIInChI=1S/C11H12BrF4NO/c12-8-1-2-10(13)7(3-8)4-9(17)5-18-6-11(14,15)16/h1-3,9H,4-6,17H2
InChIKeyCFYBLDJLVJNPMQ-UHFFFAOYSA-N
MW330.12 g/mol
LogP3.04
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103214921) has the molecular formula C11H12BrF4NO and a molecular weight of 330.12 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103214921
Molecular FormulaC11H12BrF4NO
Molecular Weight330.12 g/mol
Exact Mass329.00
IUPAC Name1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESNC(COCC(F)(F)F)Cc1cc(Br)ccc1F
InChIInChI=1S/C11H12BrF4NO/c12-8-1-2-10(13)7(3-8)4-9(17)5-18-6-11(14,15)16/h1-3,9H,4-6,17H2
InChIKeyCFYBLDJLVJNPMQ-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.12
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214570
1-(5-bromo-2-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 105131839
1-(5-bromo-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-amine
CID 105131753
1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115839093
1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147983
1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216527
1-(5-bromo-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115839557
1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine
CID 63412312
1-(5-bromo-2-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146759
1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
CID 115839839
1-(2-bromo-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475087
2-(5-bromo-2-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 62607911

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103214921) is 1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is NC(COCC(F)(F)F)Cc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is CFYBLDJLVJNPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF4NO/c12-8-1-2-10(13)7(3-8)4-9(17)5-18-6-11(14,15)16/h1-3,9H,4-6,17H2.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 330.12 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103214921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).