3,3-dimethyl-4-N-(2,2,3,3-tetrafluorobutyl)penta-1,4-diene-2,4-diamine

C11H18F4N2 — CID 154937055

IUPAC3,3-dimethyl-4-N-(2,2,3,3-tetrafluorobutyl)penta-1,4-diene-2,4-diamine
SMILESC=C(N)C(C)(C)C(=C)NCC(F)(F)C(C)(F)F
InChIInChI=1S/C11H18F4N2/c1-7(16)9(3,4)8(2)17-6-11(14,15)10(5,12)13/h17H,1-2,6,16H2,3-5H3
InChIKeyWZXOKYNCFJFENU-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.88
Rot. Bonds6

About 3,3-dimethyl-4-N-(2,2,3,3-tetrafluorobutyl)penta-1,4-diene-2,4-diamine

3,3-dimethyl-4-N-(2,2,3,3-tetrafluorobutyl)penta-1,4-diene-2,4-diamine (PubChem CID 154937055) has the molecular formula C11H18F4N2 and a molecular weight of 254.27 g/mol. Its IUPAC name is 3,3-dimethyl-4-N-(2,2,3,3-tetrafluorobutyl)penta-1,4-diene-2,4-diamine.

Molecular Properties

Compound Name3,3-dimethyl-4-N-(2,2,3,3-tetrafluorobutyl)penta-1,4-diene-2,4-diamine
PubChem CID154937055
Molecular FormulaC11H18F4N2
Molecular Weight254.27 g/mol
Exact Mass254.14
IUPAC Name3,3-dimethyl-4-N-(2,2,3,3-tetrafluorobutyl)penta-1,4-diene-2,4-diamine
SMILESC=C(N)C(C)(C)C(=C)NCC(F)(F)C(C)(F)F
InChIInChI=1S/C11H18F4N2/c1-7(16)9(3,4)8(2)17-6-11(14,15)10(5,12)13/h17H,1-2,6,16H2,3-5H3
InChIKeyWZXOKYNCFJFENU-UHFFFAOYSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3,3-dimethyl-4-N-(2,2,3,3-tetrafluorobutyl)penta-1,4-diene-2,4-diamine?
The IUPAC name of 3,3-dimethyl-4-N-(2,2,3,3-tetrafluorobutyl)penta-1,4-diene-2,4-diamine (CID 154937055) is 3,3-dimethyl-4-N-(2,2,3,3-tetrafluorobutyl)penta-1,4-diene-2,4-diamine.
What is the SMILES notation for 3,3-dimethyl-4-N-(2,2,3,3-tetrafluorobutyl)penta-1,4-diene-2,4-diamine?
The canonical SMILES for 3,3-dimethyl-4-N-(2,2,3,3-tetrafluorobutyl)penta-1,4-diene-2,4-diamine is C=C(N)C(C)(C)C(=C)NCC(F)(F)C(C)(F)F.
What is the InChIKey of 3,3-dimethyl-4-N-(2,2,3,3-tetrafluorobutyl)penta-1,4-diene-2,4-diamine?
The InChIKey is WZXOKYNCFJFENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F4N2/c1-7(16)9(3,4)8(2)17-6-11(14,15)10(5,12)13/h17H,1-2,6,16H2,3-5H3.
What are the key properties of 3,3-dimethyl-4-N-(2,2,3,3-tetrafluorobutyl)penta-1,4-diene-2,4-diamine?
3,3-dimethyl-4-N-(2,2,3,3-tetrafluorobutyl)penta-1,4-diene-2,4-diamine has a molecular weight of 254.27 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-N-(2,2,3,3-tetrafluorobutyl)penta-1,4-diene-2,4-diamine is sourced from PubChem (CID 154937055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).