N-(2-bromo-3,3,3-trifluoropropyl)-N,2-dimethyloxolan-3-amine

C9H15BrF3NO — CID 82748380

IUPACN-(2-bromo-3,3,3-trifluoropropyl)-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)CC(Br)C(F)(F)F
InChIInChI=1S/C9H15BrF3NO/c1-6-7(3-4-15-6)14(2)5-8(10)9(11,12)13/h6-8H,3-5H2,1-2H3
InChIKeyTUOUCSFIIQUSOM-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.42
Rot. Bonds3

About N-(2-bromo-3,3,3-trifluoropropyl)-N,2-dimethyloxolan-3-amine

N-(2-bromo-3,3,3-trifluoropropyl)-N,2-dimethyloxolan-3-amine (PubChem CID 82748380) has the molecular formula C9H15BrF3NO and a molecular weight of 290.12 g/mol. Its IUPAC name is N-(2-bromo-3,3,3-trifluoropropyl)-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-(2-bromo-3,3,3-trifluoropropyl)-N,2-dimethyloxolan-3-amine
PubChem CID82748380
Molecular FormulaC9H15BrF3NO
Molecular Weight290.12 g/mol
Exact Mass289.03
IUPAC NameN-(2-bromo-3,3,3-trifluoropropyl)-N,2-dimethyloxolan-3-amine
SMILESCC1OCCC1N(C)CC(Br)C(F)(F)F
InChIInChI=1S/C9H15BrF3NO/c1-6-7(3-4-15-6)14(2)5-8(10)9(11,12)13/h6-8H,3-5H2,1-2H3
InChIKeyTUOUCSFIIQUSOM-UHFFFAOYSA-N
XLogP2.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3,3,3-trifluoropropyl)-N,2-dimethyloxolan-3-amine?
The IUPAC name of N-(2-bromo-3,3,3-trifluoropropyl)-N,2-dimethyloxolan-3-amine (CID 82748380) is N-(2-bromo-3,3,3-trifluoropropyl)-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-(2-bromo-3,3,3-trifluoropropyl)-N,2-dimethyloxolan-3-amine?
The canonical SMILES for N-(2-bromo-3,3,3-trifluoropropyl)-N,2-dimethyloxolan-3-amine is CC1OCCC1N(C)CC(Br)C(F)(F)F.
What is the InChIKey of N-(2-bromo-3,3,3-trifluoropropyl)-N,2-dimethyloxolan-3-amine?
The InChIKey is TUOUCSFIIQUSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrF3NO/c1-6-7(3-4-15-6)14(2)5-8(10)9(11,12)13/h6-8H,3-5H2,1-2H3.
What are the key properties of N-(2-bromo-3,3,3-trifluoropropyl)-N,2-dimethyloxolan-3-amine?
N-(2-bromo-3,3,3-trifluoropropyl)-N,2-dimethyloxolan-3-amine has a molecular weight of 290.12 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3,3,3-trifluoropropyl)-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82748380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).