2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine

C5H8F5N — CID 10725976

IUPAC2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine
SMILESCN(C)CC(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5N/c1-11(2)3-4(6,7)5(8,9)10/h3H2,1-2H3
InChIKeyLZHZLVCKWHQVQL-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.75
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine

2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine (PubChem CID 10725976) has the molecular formula C5H8F5N and a molecular weight of 177.12 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine
PubChem CID10725976
Molecular FormulaC5H8F5N
Molecular Weight177.12 g/mol
Exact Mass177.06
IUPAC Name2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine
SMILESCN(C)CC(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5N/c1-11(2)3-4(6,7)5(8,9)10/h3H2,1-2H3
InChIKeyLZHZLVCKWHQVQL-UHFFFAOYSA-N
XLogP1.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine?
The IUPAC name of 2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine (CID 10725976) is 2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine is CN(C)CC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine?
The InChIKey is LZHZLVCKWHQVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F5N/c1-11(2)3-4(6,7)5(8,9)10/h3H2,1-2H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine?
2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine has a molecular weight of 177.12 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 10725976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).