N-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine

C11H11BrF3NO — CID 114042727

IUPACN-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine
SMILESFC(F)(F)c1ccc(Br)c(NC2CCOC2)c1
InChIInChI=1S/C11H11BrF3NO/c12-9-2-1-7(11(13,14)15)5-10(9)16-8-3-4-17-6-8/h1-2,5,8,16H,3-4,6H2
InChIKeyHCUNURLUDFEYKK-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.67
Rot. Bonds2

About N-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine

N-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine (PubChem CID 114042727) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is N-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine
PubChem CID114042727
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC NameN-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine
SMILESFC(F)(F)c1ccc(Br)c(NC2CCOC2)c1
InChIInChI=1S/C11H11BrF3NO/c12-9-2-1-7(11(13,14)15)5-10(9)16-8-3-4-17-6-8/h1-2,5,8,16H,3-4,6H2
InChIKeyHCUNURLUDFEYKK-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine?
The IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine (CID 114042727) is N-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine.
What is the SMILES notation for N-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine?
The canonical SMILES for N-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine is FC(F)(F)c1ccc(Br)c(NC2CCOC2)c1.
What is the InChIKey of N-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine?
The InChIKey is HCUNURLUDFEYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c12-9-2-1-7(11(13,14)15)5-10(9)16-8-3-4-17-6-8/h1-2,5,8,16H,3-4,6H2.
What are the key properties of N-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine?
N-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine has a molecular weight of 310.11 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-5-(trifluoromethyl)phenyl]oxolan-3-amine is sourced from PubChem (CID 114042727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).