N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine

C10H10F11N — CID 19761981

IUPACN,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine
SMILESCCN(CC)C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F11N/c1-3-22(4-2)6(7(11,12)10(19,20)21)5(8(13,14)15)9(16,17)18/h3-4H2,1-2H3
InChIKeyVPKQIMZQRJYDFT-UHFFFAOYSA-N
MW353.18 g/mol
LogP4.90
Rot. Bonds4

About N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine

N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine (PubChem CID 19761981) has the molecular formula C10H10F11N and a molecular weight of 353.18 g/mol. Its IUPAC name is N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine
PubChem CID19761981
Molecular FormulaC10H10F11N
Molecular Weight353.18 g/mol
Exact Mass353.06
IUPAC NameN,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine
SMILESCCN(CC)C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F11N/c1-3-22(4-2)6(7(11,12)10(19,20)21)5(8(13,14)15)9(16,17)18/h3-4H2,1-2H3
InChIKeyVPKQIMZQRJYDFT-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine 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 N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine?
The IUPAC name of N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine (CID 19761981) is N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine.
What is the SMILES notation for N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine?
The canonical SMILES for N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine is CCN(CC)C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine?
The InChIKey is VPKQIMZQRJYDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F11N/c1-3-22(4-2)6(7(11,12)10(19,20)21)5(8(13,14)15)9(16,17)18/h3-4H2,1-2H3.
What are the key properties of N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine?
N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine has a molecular weight of 353.18 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-amine is sourced from PubChem (CID 19761981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).