1-(1,1-difluoroethoxy)-3,3-difluorobutan-2-amine;ethane

C8H17F4NO — CID 170584933

IUPAC1-(1,1-difluoroethoxy)-3,3-difluorobutan-2-amine;ethane
SMILESCC.CC(F)(F)OCC(N)C(C)(F)F
InChIInChI=1S/C6H11F4NO.C2H6/c1-5(7,8)4(11)3-12-6(2,9)10;1-2/h4H,3,11H2,1-2H3;1-2H3
InChIKeyLDYOSMZMOLZVNN-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.62
Rot. Bonds4

About 1-(1,1-difluoroethoxy)-3,3-difluorobutan-2-amine;ethane

1-(1,1-difluoroethoxy)-3,3-difluorobutan-2-amine;ethane (PubChem CID 170584933) has the molecular formula C8H17F4NO and a molecular weight of 219.22 g/mol. Its IUPAC name is 1-(1,1-difluoroethoxy)-3,3-difluorobutan-2-amine;ethane.

Molecular Properties

Compound Name1-(1,1-difluoroethoxy)-3,3-difluorobutan-2-amine;ethane
PubChem CID170584933
Molecular FormulaC8H17F4NO
Molecular Weight219.22 g/mol
Exact Mass219.12
IUPAC Name1-(1,1-difluoroethoxy)-3,3-difluorobutan-2-amine;ethane
SMILESCC.CC(F)(F)OCC(N)C(C)(F)F
InChIInChI=1S/C6H11F4NO.C2H6/c1-5(7,8)4(11)3-12-6(2,9)10;1-2/h4H,3,11H2,1-2H3;1-2H3
InChIKeyLDYOSMZMOLZVNN-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethoxy)-3,3-difluorobutan-2-amine;ethane?
The IUPAC name of 1-(1,1-difluoroethoxy)-3,3-difluorobutan-2-amine;ethane (CID 170584933) is 1-(1,1-difluoroethoxy)-3,3-difluorobutan-2-amine;ethane.
What is the SMILES notation for 1-(1,1-difluoroethoxy)-3,3-difluorobutan-2-amine;ethane?
The canonical SMILES for 1-(1,1-difluoroethoxy)-3,3-difluorobutan-2-amine;ethane is CC.CC(F)(F)OCC(N)C(C)(F)F.
What is the InChIKey of 1-(1,1-difluoroethoxy)-3,3-difluorobutan-2-amine;ethane?
The InChIKey is LDYOSMZMOLZVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F4NO.C2H6/c1-5(7,8)4(11)3-12-6(2,9)10;1-2/h4H,3,11H2,1-2H3;1-2H3.
What are the key properties of 1-(1,1-difluoroethoxy)-3,3-difluorobutan-2-amine;ethane?
1-(1,1-difluoroethoxy)-3,3-difluorobutan-2-amine;ethane has a molecular weight of 219.22 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethoxy)-3,3-difluorobutan-2-amine;ethane is sourced from PubChem (CID 170584933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).