2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-2,3,3,3-tetrafluoro-N,N-dimethylpropan-1-amine

C9H8F13NO — CID 13262943

IUPAC2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-2,3,3,3-tetrafluoro-N,N-dimethylpropan-1-amine
SMILESCN(C)CC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F13NO/c1-23(2)3-4(10,6(12,13)14)9(21,22)24-5(11,7(15,16)17)8(18,19)20/h3H2,1-2H3
InChIKeyGCZHXUAGLQIGRH-UHFFFAOYSA-N
MW393.14 g/mol
LogP4.22
Rot. Bonds5

About 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-2,3,3,3-tetrafluoro-N,N-dimethylpropan-1-amine

2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-2,3,3,3-tetrafluoro-N,N-dimethylpropan-1-amine (PubChem CID 13262943) has the molecular formula C9H8F13NO and a molecular weight of 393.14 g/mol. Its IUPAC name is 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-2,3,3,3-tetrafluoro-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-2,3,3,3-tetrafluoro-N,N-dimethylpropan-1-amine
PubChem CID13262943
Molecular FormulaC9H8F13NO
Molecular Weight393.14 g/mol
Exact Mass393.04
IUPAC Name2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-2,3,3,3-tetrafluoro-N,N-dimethylpropan-1-amine
SMILESCN(C)CC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F13NO/c1-23(2)3-4(10,6(12,13)14)9(21,22)24-5(11,7(15,16)17)8(18,19)20/h3H2,1-2H3
InChIKeyGCZHXUAGLQIGRH-UHFFFAOYSA-N
XLogP4.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.14
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-2,3,3,3-tetrafluoro-N,N-dimethylpropan-1-amine?
The IUPAC name of 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-2,3,3,3-tetrafluoro-N,N-dimethylpropan-1-amine (CID 13262943) is 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-2,3,3,3-tetrafluoro-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-2,3,3,3-tetrafluoro-N,N-dimethylpropan-1-amine?
The canonical SMILES for 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-2,3,3,3-tetrafluoro-N,N-dimethylpropan-1-amine is CN(C)CC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-2,3,3,3-tetrafluoro-N,N-dimethylpropan-1-amine?
The InChIKey is GCZHXUAGLQIGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F13NO/c1-23(2)3-4(10,6(12,13)14)9(21,22)24-5(11,7(15,16)17)8(18,19)20/h3H2,1-2H3.
What are the key properties of 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-2,3,3,3-tetrafluoro-N,N-dimethylpropan-1-amine?
2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-2,3,3,3-tetrafluoro-N,N-dimethylpropan-1-amine has a molecular weight of 393.14 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)methyl]-2,3,3,3-tetrafluoro-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 13262943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).