N-ethyl-3-(trifluoromethyl)oxolan-3-amine

C7H12F3NO — CID 66204966

IUPACN-ethyl-3-(trifluoromethyl)oxolan-3-amine
SMILESCCNC1(C(F)(F)F)CCOC1
InChIInChI=1S/C7H12F3NO/c1-2-11-6(7(8,9)10)3-4-12-5-6/h11H,2-5H2,1H3
InChIKeyRZLOSHJDKJLTCL-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.32
Rot. Bonds2

About N-ethyl-3-(trifluoromethyl)oxolan-3-amine

N-ethyl-3-(trifluoromethyl)oxolan-3-amine (PubChem CID 66204966) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N-ethyl-3-(trifluoromethyl)oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-3-(trifluoromethyl)oxolan-3-amine
PubChem CID66204966
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN-ethyl-3-(trifluoromethyl)oxolan-3-amine
SMILESCCNC1(C(F)(F)F)CCOC1
InChIInChI=1S/C7H12F3NO/c1-2-11-6(7(8,9)10)3-4-12-5-6/h11H,2-5H2,1H3
InChIKeyRZLOSHJDKJLTCL-UHFFFAOYSA-N
XLogP1.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-ethyl-3-(trifluoromethyl)oxolan-3-amine?
The IUPAC name of N-ethyl-3-(trifluoromethyl)oxolan-3-amine (CID 66204966) is N-ethyl-3-(trifluoromethyl)oxolan-3-amine.
What is the SMILES notation for N-ethyl-3-(trifluoromethyl)oxolan-3-amine?
The canonical SMILES for N-ethyl-3-(trifluoromethyl)oxolan-3-amine is CCNC1(C(F)(F)F)CCOC1.
What is the InChIKey of N-ethyl-3-(trifluoromethyl)oxolan-3-amine?
The InChIKey is RZLOSHJDKJLTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-2-11-6(7(8,9)10)3-4-12-5-6/h11H,2-5H2,1H3.
What are the key properties of N-ethyl-3-(trifluoromethyl)oxolan-3-amine?
N-ethyl-3-(trifluoromethyl)oxolan-3-amine has a molecular weight of 183.17 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(trifluoromethyl)oxolan-3-amine is sourced from PubChem (CID 66204966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).