(E)-N,3-diethyl-4-fluoropent-3-en-2-imine

C9H16FN — CID 89207606

IUPAC(E)-N,3-diethyl-4-fluoropent-3-en-2-imine
SMILESCC/N=C(C)/C(CC)=C(\C)F
InChIInChI=1S/C9H16FN/c1-5-9(7(3)10)8(4)11-6-2/h5-6H2,1-4H3/b9-7+,11-8+
InChIKeyASKPMEXIQDOHAZ-BIZFVBGRSA-N
MW157.23 g/mol
LogP3.12
Rot. Bonds3

About (E)-N,3-diethyl-4-fluoropent-3-en-2-imine

(E)-N,3-diethyl-4-fluoropent-3-en-2-imine (PubChem CID 89207606) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (E)-N,3-diethyl-4-fluoropent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N,3-diethyl-4-fluoropent-3-en-2-imine
PubChem CID89207606
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(E)-N,3-diethyl-4-fluoropent-3-en-2-imine
SMILESCC/N=C(C)/C(CC)=C(\C)F
InChIInChI=1S/C9H16FN/c1-5-9(7(3)10)8(4)11-6-2/h5-6H2,1-4H3/b9-7+,11-8+
InChIKeyASKPMEXIQDOHAZ-BIZFVBGRSA-N
XLogP3.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 53.12
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,3-diethyl-4-fluoropent-3-en-2-imine?
The IUPAC name of (E)-N,3-diethyl-4-fluoropent-3-en-2-imine (CID 89207606) is (E)-N,3-diethyl-4-fluoropent-3-en-2-imine.
What is the SMILES notation for (E)-N,3-diethyl-4-fluoropent-3-en-2-imine?
The canonical SMILES for (E)-N,3-diethyl-4-fluoropent-3-en-2-imine is CC/N=C(C)/C(CC)=C(\C)F.
What is the InChIKey of (E)-N,3-diethyl-4-fluoropent-3-en-2-imine?
The InChIKey is ASKPMEXIQDOHAZ-BIZFVBGRSA-N. The full InChI is InChI=1S/C9H16FN/c1-5-9(7(3)10)8(4)11-6-2/h5-6H2,1-4H3/b9-7+,11-8+.
What are the key properties of (E)-N,3-diethyl-4-fluoropent-3-en-2-imine?
(E)-N,3-diethyl-4-fluoropent-3-en-2-imine has a molecular weight of 157.23 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-diethyl-4-fluoropent-3-en-2-imine is sourced from PubChem (CID 89207606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).