(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine

C10H15F4N — CID 123185746

IUPAC(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine
SMILESCCC(C)/N=C(/C=C(\C)C(F)F)C(F)F
InChIInChI=1S/C10H15F4N/c1-4-7(3)15-8(10(13)14)5-6(2)9(11)12/h5,7,9-10H,4H2,1-3H3/b6-5+,15-8-
InChIKeyRVXNFPZFGKEYHP-RSIRFQHMSA-N
MW225.23 g/mol
LogP3.70
Rot. Bonds5

About (E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine

(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine (PubChem CID 123185746) has the molecular formula C10H15F4N and a molecular weight of 225.23 g/mol. Its IUPAC name is (E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine
PubChem CID123185746
Molecular FormulaC10H15F4N
Molecular Weight225.23 g/mol
Exact Mass225.11
IUPAC Name(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine
SMILESCCC(C)/N=C(/C=C(\C)C(F)F)C(F)F
InChIInChI=1S/C10H15F4N/c1-4-7(3)15-8(10(13)14)5-6(2)9(11)12/h5,7,9-10H,4H2,1-3H3/b6-5+,15-8-
InChIKeyRVXNFPZFGKEYHP-RSIRFQHMSA-N
XLogP3.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine?
The IUPAC name of (E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine (CID 123185746) is (E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine.
What is the SMILES notation for (E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine?
The canonical SMILES for (E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine is CCC(C)/N=C(/C=C(\C)C(F)F)C(F)F.
What is the InChIKey of (E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine?
The InChIKey is RVXNFPZFGKEYHP-RSIRFQHMSA-N. The full InChI is InChI=1S/C10H15F4N/c1-4-7(3)15-8(10(13)14)5-6(2)9(11)12/h5,7,9-10H,4H2,1-3H3/b6-5+,15-8-.
What are the key properties of (E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine?
(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine has a molecular weight of 225.23 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine is sourced from PubChem (CID 123185746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).