N,2-dimethyl-3-(trifluoromethyl)oxolan-3-amine

C7H12F3NO — CID 82717874

IUPACN,2-dimethyl-3-(trifluoromethyl)oxolan-3-amine
SMILESCNC1(C(F)(F)F)CCOC1C
InChIInChI=1S/C7H12F3NO/c1-5-6(11-2,3-4-12-5)7(8,9)10/h5,11H,3-4H2,1-2H3
InChIKeyUVMRSIJZGAPPEF-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.32
Rot. Bonds1

About N,2-dimethyl-3-(trifluoromethyl)oxolan-3-amine

N,2-dimethyl-3-(trifluoromethyl)oxolan-3-amine (PubChem CID 82717874) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N,2-dimethyl-3-(trifluoromethyl)oxolan-3-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(trifluoromethyl)oxolan-3-amine
PubChem CID82717874
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN,2-dimethyl-3-(trifluoromethyl)oxolan-3-amine
SMILESCNC1(C(F)(F)F)CCOC1C
InChIInChI=1S/C7H12F3NO/c1-5-6(11-2,3-4-12-5)7(8,9)10/h5,11H,3-4H2,1-2H3
InChIKeyUVMRSIJZGAPPEF-UHFFFAOYSA-N
XLogP1.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(trifluoromethyl)oxolan-3-amine?
The IUPAC name of N,2-dimethyl-3-(trifluoromethyl)oxolan-3-amine (CID 82717874) is N,2-dimethyl-3-(trifluoromethyl)oxolan-3-amine.
What is the SMILES notation for N,2-dimethyl-3-(trifluoromethyl)oxolan-3-amine?
The canonical SMILES for N,2-dimethyl-3-(trifluoromethyl)oxolan-3-amine is CNC1(C(F)(F)F)CCOC1C.
What is the InChIKey of N,2-dimethyl-3-(trifluoromethyl)oxolan-3-amine?
The InChIKey is UVMRSIJZGAPPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-5-6(11-2,3-4-12-5)7(8,9)10/h5,11H,3-4H2,1-2H3.
What are the key properties of N,2-dimethyl-3-(trifluoromethyl)oxolan-3-amine?
N,2-dimethyl-3-(trifluoromethyl)oxolan-3-amine has a molecular weight of 183.17 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(trifluoromethyl)oxolan-3-amine is sourced from PubChem (CID 82717874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).