(3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine

C10H16FN — CID 154987810

IUPAC(3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine
SMILES[H]/N=C(CF)/C(=C\C)C(=C)CCC
InChIInChI=1S/C10H16FN/c1-4-6-8(3)9(5-2)10(12)7-11/h5,12H,3-4,6-7H2,1-2H3/b9-5-,12-10+
InChIKeyLTDVIQLSOIVHCY-VVVIWDQOSA-N
MW169.24 g/mol
LogP3.28
Rot. Bonds5

About (3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine

(3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine (PubChem CID 154987810) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine
PubChem CID154987810
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine
SMILES[H]/N=C(CF)/C(=C\C)C(=C)CCC
InChIInChI=1S/C10H16FN/c1-4-6-8(3)9(5-2)10(12)7-11/h5,12H,3-4,6-7H2,1-2H3/b9-5-,12-10+
InChIKeyLTDVIQLSOIVHCY-VVVIWDQOSA-N
XLogP3.28
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine?
The IUPAC name of (3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine (CID 154987810) is (3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine.
What is the SMILES notation for (3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine?
The canonical SMILES for (3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine is [H]/N=C(CF)/C(=C\C)C(=C)CCC.
What is the InChIKey of (3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine?
The InChIKey is LTDVIQLSOIVHCY-VVVIWDQOSA-N. The full InChI is InChI=1S/C10H16FN/c1-4-6-8(3)9(5-2)10(12)7-11/h5,12H,3-4,6-7H2,1-2H3/b9-5-,12-10+.
What are the key properties of (3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine?
(3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine has a molecular weight of 169.24 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-1-fluoro-4-methylideneheptan-2-imine is sourced from PubChem (CID 154987810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).