3-(difluoromethyl)-N,2-dimethyloxolan-3-amine

C7H13F2NO — CID 82718199

IUPAC3-(difluoromethyl)-N,2-dimethyloxolan-3-amine
SMILESCNC1(C(F)F)CCOC1C
InChIInChI=1S/C7H13F2NO/c1-5-7(10-2,6(8)9)3-4-11-5/h5-6,10H,3-4H2,1-2H3
InChIKeyZYCLSXCGGNRDIL-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.02
Rot. Bonds2

About 3-(difluoromethyl)-N,2-dimethyloxolan-3-amine

3-(difluoromethyl)-N,2-dimethyloxolan-3-amine (PubChem CID 82718199) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 3-(difluoromethyl)-N,2-dimethyloxolan-3-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-N,2-dimethyloxolan-3-amine
PubChem CID82718199
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name3-(difluoromethyl)-N,2-dimethyloxolan-3-amine
SMILESCNC1(C(F)F)CCOC1C
InChIInChI=1S/C7H13F2NO/c1-5-7(10-2,6(8)9)3-4-11-5/h5-6,10H,3-4H2,1-2H3
InChIKeyZYCLSXCGGNRDIL-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N,2-dimethyloxolan-3-amine?
The IUPAC name of 3-(difluoromethyl)-N,2-dimethyloxolan-3-amine (CID 82718199) is 3-(difluoromethyl)-N,2-dimethyloxolan-3-amine.
What is the SMILES notation for 3-(difluoromethyl)-N,2-dimethyloxolan-3-amine?
The canonical SMILES for 3-(difluoromethyl)-N,2-dimethyloxolan-3-amine is CNC1(C(F)F)CCOC1C.
What is the InChIKey of 3-(difluoromethyl)-N,2-dimethyloxolan-3-amine?
The InChIKey is ZYCLSXCGGNRDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-5-7(10-2,6(8)9)3-4-11-5/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-N,2-dimethyloxolan-3-amine?
3-(difluoromethyl)-N,2-dimethyloxolan-3-amine has a molecular weight of 165.18 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N,2-dimethyloxolan-3-amine is sourced from PubChem (CID 82718199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).