3-(trifluoromethyl)oxolan-3-amine

C5H8F3NO — CID 50989636

IUPAC3-(trifluoromethyl)oxolan-3-amine
SMILESNC1(C(F)(F)F)CCOC1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)4(9)1-2-10-3-4/h1-3,9H2
InChIKeyGCSHUWRZDOUZNN-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.67
Rot. Bonds

About 3-(trifluoromethyl)oxolan-3-amine

3-(trifluoromethyl)oxolan-3-amine (PubChem CID 50989636) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 3-(trifluoromethyl)oxolan-3-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)oxolan-3-amine
PubChem CID50989636
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name3-(trifluoromethyl)oxolan-3-amine
SMILESNC1(C(F)(F)F)CCOC1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)4(9)1-2-10-3-4/h1-3,9H2
InChIKeyGCSHUWRZDOUZNN-UHFFFAOYSA-N
XLogP0.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)oxolan-3-amine?
The IUPAC name of 3-(trifluoromethyl)oxolan-3-amine (CID 50989636) is 3-(trifluoromethyl)oxolan-3-amine.
What is the SMILES notation for 3-(trifluoromethyl)oxolan-3-amine?
The canonical SMILES for 3-(trifluoromethyl)oxolan-3-amine is NC1(C(F)(F)F)CCOC1.
What is the InChIKey of 3-(trifluoromethyl)oxolan-3-amine?
The InChIKey is GCSHUWRZDOUZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-5(7,8)4(9)1-2-10-3-4/h1-3,9H2.
What are the key properties of 3-(trifluoromethyl)oxolan-3-amine?
3-(trifluoromethyl)oxolan-3-amine has a molecular weight of 155.12 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)oxolan-3-amine is sourced from PubChem (CID 50989636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).