3,3-difluoro-1-(2,2,2-trifluoroethoxy)butan-2-amine;ethane

C8H16F5NO — CID 170584873

IUPAC3,3-difluoro-1-(2,2,2-trifluoroethoxy)butan-2-amine;ethane
SMILESCC.CC(F)(F)C(N)COCC(F)(F)F
InChIInChI=1S/C6H10F5NO.C2H6/c1-5(7,8)4(12)2-13-3-6(9,10)11;1-2/h4H,2-3,12H2,1H3;1-2H3
InChIKeyJJJZCFIXBOCPHH-UHFFFAOYSA-N
MW237.21 g/mol
LogP2.57
Rot. Bonds4

About 3,3-difluoro-1-(2,2,2-trifluoroethoxy)butan-2-amine;ethane

3,3-difluoro-1-(2,2,2-trifluoroethoxy)butan-2-amine;ethane (PubChem CID 170584873) has the molecular formula C8H16F5NO and a molecular weight of 237.21 g/mol. Its IUPAC name is 3,3-difluoro-1-(2,2,2-trifluoroethoxy)butan-2-amine;ethane.

Molecular Properties

Compound Name3,3-difluoro-1-(2,2,2-trifluoroethoxy)butan-2-amine;ethane
PubChem CID170584873
Molecular FormulaC8H16F5NO
Molecular Weight237.21 g/mol
Exact Mass237.12
IUPAC Name3,3-difluoro-1-(2,2,2-trifluoroethoxy)butan-2-amine;ethane
SMILESCC.CC(F)(F)C(N)COCC(F)(F)F
InChIInChI=1S/C6H10F5NO.C2H6/c1-5(7,8)4(12)2-13-3-6(9,10)11;1-2/h4H,2-3,12H2,1H3;1-2H3
InChIKeyJJJZCFIXBOCPHH-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-difluoro-1-(2,2,2-trifluoroethoxy)butan-2-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2,2,2-trifluoroethoxy)butan-2-amine;ethane?
The IUPAC name of 3,3-difluoro-1-(2,2,2-trifluoroethoxy)butan-2-amine;ethane (CID 170584873) is 3,3-difluoro-1-(2,2,2-trifluoroethoxy)butan-2-amine;ethane.
What is the SMILES notation for 3,3-difluoro-1-(2,2,2-trifluoroethoxy)butan-2-amine;ethane?
The canonical SMILES for 3,3-difluoro-1-(2,2,2-trifluoroethoxy)butan-2-amine;ethane is CC.CC(F)(F)C(N)COCC(F)(F)F.
What is the InChIKey of 3,3-difluoro-1-(2,2,2-trifluoroethoxy)butan-2-amine;ethane?
The InChIKey is JJJZCFIXBOCPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F5NO.C2H6/c1-5(7,8)4(12)2-13-3-6(9,10)11;1-2/h4H,2-3,12H2,1H3;1-2H3.
What are the key properties of 3,3-difluoro-1-(2,2,2-trifluoroethoxy)butan-2-amine;ethane?
3,3-difluoro-1-(2,2,2-trifluoroethoxy)butan-2-amine;ethane has a molecular weight of 237.21 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2,2,2-trifluoroethoxy)butan-2-amine;ethane is sourced from PubChem (CID 170584873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).