3-(4-bromophenyl)-5,5,5-trifluoropentan-1-amine

C11H13BrF3N — CID 82534535

IUPAC3-(4-bromophenyl)-5,5,5-trifluoropentan-1-amine
SMILESNCCC(CC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrF3N/c12-10-3-1-8(2-4-10)9(5-6-16)7-11(13,14)15/h1-4,9H,5-7,16H2
InChIKeyCQCLHJOQFFUZIT-UHFFFAOYSA-N
MW296.13 g/mol
LogP3.83
Rot. Bonds4

About 3-(4-bromophenyl)-5,5,5-trifluoropentan-1-amine

3-(4-bromophenyl)-5,5,5-trifluoropentan-1-amine (PubChem CID 82534535) has the molecular formula C11H13BrF3N and a molecular weight of 296.13 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-5,5,5-trifluoropentan-1-amine
PubChem CID82534535
Molecular FormulaC11H13BrF3N
Molecular Weight296.13 g/mol
Exact Mass295.02
IUPAC Name3-(4-bromophenyl)-5,5,5-trifluoropentan-1-amine
SMILESNCCC(CC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrF3N/c12-10-3-1-8(2-4-10)9(5-6-16)7-11(13,14)15/h1-4,9H,5-7,16H2
InChIKeyCQCLHJOQFFUZIT-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5,5,5-trifluoropentan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-5,5,5-trifluoropentan-1-amine (CID 82534535) is 3-(4-bromophenyl)-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-5,5,5-trifluoropentan-1-amine is NCCC(CC(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-5,5,5-trifluoropentan-1-amine?
The InChIKey is CQCLHJOQFFUZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N/c12-10-3-1-8(2-4-10)9(5-6-16)7-11(13,14)15/h1-4,9H,5-7,16H2.
What are the key properties of 3-(4-bromophenyl)-5,5,5-trifluoropentan-1-amine?
3-(4-bromophenyl)-5,5,5-trifluoropentan-1-amine has a molecular weight of 296.13 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 82534535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).