(1Z,3E)-1,2,5,5,5-pentafluoro-N,4-dimethylpenta-1,3-dien-1-amine

C7H8F5N — CID 146382933

IUPAC(1Z,3E)-1,2,5,5,5-pentafluoro-N,4-dimethylpenta-1,3-dien-1-amine
SMILESCN/C(F)=C(F)\C=C(/C)C(F)(F)F
InChIInChI=1S/C7H8F5N/c1-4(7(10,11)12)3-5(8)6(9)13-2/h3,13H,1-2H3/b4-3+,6-5+
InChIKeyVQWUUPVGEYSTPI-VNKDHWASSA-N
MW201.14 g/mol
LogP2.82
Rot. Bonds2

About (1Z,3E)-1,2,5,5,5-pentafluoro-N,4-dimethylpenta-1,3-dien-1-amine

(1Z,3E)-1,2,5,5,5-pentafluoro-N,4-dimethylpenta-1,3-dien-1-amine (PubChem CID 146382933) has the molecular formula C7H8F5N and a molecular weight of 201.14 g/mol. Its IUPAC name is (1Z,3E)-1,2,5,5,5-pentafluoro-N,4-dimethylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-1,2,5,5,5-pentafluoro-N,4-dimethylpenta-1,3-dien-1-amine
PubChem CID146382933
Molecular FormulaC7H8F5N
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name(1Z,3E)-1,2,5,5,5-pentafluoro-N,4-dimethylpenta-1,3-dien-1-amine
SMILESCN/C(F)=C(F)\C=C(/C)C(F)(F)F
InChIInChI=1S/C7H8F5N/c1-4(7(10,11)12)3-5(8)6(9)13-2/h3,13H,1-2H3/b4-3+,6-5+
InChIKeyVQWUUPVGEYSTPI-VNKDHWASSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1,2,5,5,5-pentafluoro-N,4-dimethylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-1,2,5,5,5-pentafluoro-N,4-dimethylpenta-1,3-dien-1-amine (CID 146382933) is (1Z,3E)-1,2,5,5,5-pentafluoro-N,4-dimethylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-1,2,5,5,5-pentafluoro-N,4-dimethylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-1,2,5,5,5-pentafluoro-N,4-dimethylpenta-1,3-dien-1-amine is CN/C(F)=C(F)\C=C(/C)C(F)(F)F.
What is the InChIKey of (1Z,3E)-1,2,5,5,5-pentafluoro-N,4-dimethylpenta-1,3-dien-1-amine?
The InChIKey is VQWUUPVGEYSTPI-VNKDHWASSA-N. The full InChI is InChI=1S/C7H8F5N/c1-4(7(10,11)12)3-5(8)6(9)13-2/h3,13H,1-2H3/b4-3+,6-5+.
What are the key properties of (1Z,3E)-1,2,5,5,5-pentafluoro-N,4-dimethylpenta-1,3-dien-1-amine?
(1Z,3E)-1,2,5,5,5-pentafluoro-N,4-dimethylpenta-1,3-dien-1-amine has a molecular weight of 201.14 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1,2,5,5,5-pentafluoro-N,4-dimethylpenta-1,3-dien-1-amine is sourced from PubChem (CID 146382933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).