3-(2,2-difluoroethoxy)oxan-4-amine

C7H13F2NO2 — CID 82004743

IUPAC3-(2,2-difluoroethoxy)oxan-4-amine
SMILESNC1CCOCC1OCC(F)F
InChIInChI=1S/C7H13F2NO2/c8-7(9)4-12-6-3-11-2-1-5(6)10/h5-7H,1-4,10H2
InChIKeyLNORTCZPRFBKEI-UHFFFAOYSA-N
MW181.18 g/mol
LogP0.38
Rot. Bonds3

About 3-(2,2-difluoroethoxy)oxan-4-amine

3-(2,2-difluoroethoxy)oxan-4-amine (PubChem CID 82004743) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)oxan-4-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)oxan-4-amine
PubChem CID82004743
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name3-(2,2-difluoroethoxy)oxan-4-amine
SMILESNC1CCOCC1OCC(F)F
InChIInChI=1S/C7H13F2NO2/c8-7(9)4-12-6-3-11-2-1-5(6)10/h5-7H,1-4,10H2
InChIKeyLNORTCZPRFBKEI-UHFFFAOYSA-N
XLogP0.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)oxan-4-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)oxan-4-amine (CID 82004743) is 3-(2,2-difluoroethoxy)oxan-4-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)oxan-4-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)oxan-4-amine is NC1CCOCC1OCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)oxan-4-amine?
The InChIKey is LNORTCZPRFBKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c8-7(9)4-12-6-3-11-2-1-5(6)10/h5-7H,1-4,10H2.
What are the key properties of 3-(2,2-difluoroethoxy)oxan-4-amine?
3-(2,2-difluoroethoxy)oxan-4-amine has a molecular weight of 181.18 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)oxan-4-amine is sourced from PubChem (CID 82004743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).