4-(1-cyclopropylideneethyl)-3-fluorooct-1-en-2-amine

C13H22FN — CID 142070751

IUPAC4-(1-cyclopropylideneethyl)-3-fluorooct-1-en-2-amine
SMILESC=C(N)C(F)C(CCCC)C(C)=C1CC1
InChIInChI=1S/C13H22FN/c1-4-5-6-12(13(14)10(3)15)9(2)11-7-8-11/h12-13H,3-8,15H2,1-2H3
InChIKeyFAXIOLRSDHQDCL-UHFFFAOYSA-N
MW211.32 g/mol
LogP3.71
Rot. Bonds6

About 4-(1-cyclopropylideneethyl)-3-fluorooct-1-en-2-amine

4-(1-cyclopropylideneethyl)-3-fluorooct-1-en-2-amine (PubChem CID 142070751) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 4-(1-cyclopropylideneethyl)-3-fluorooct-1-en-2-amine.

Molecular Properties

Compound Name4-(1-cyclopropylideneethyl)-3-fluorooct-1-en-2-amine
PubChem CID142070751
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name4-(1-cyclopropylideneethyl)-3-fluorooct-1-en-2-amine
SMILESC=C(N)C(F)C(CCCC)C(C)=C1CC1
InChIInChI=1S/C13H22FN/c1-4-5-6-12(13(14)10(3)15)9(2)11-7-8-11/h12-13H,3-8,15H2,1-2H3
InChIKeyFAXIOLRSDHQDCL-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylideneethyl)-3-fluorooct-1-en-2-amine?
The IUPAC name of 4-(1-cyclopropylideneethyl)-3-fluorooct-1-en-2-amine (CID 142070751) is 4-(1-cyclopropylideneethyl)-3-fluorooct-1-en-2-amine.
What is the SMILES notation for 4-(1-cyclopropylideneethyl)-3-fluorooct-1-en-2-amine?
The canonical SMILES for 4-(1-cyclopropylideneethyl)-3-fluorooct-1-en-2-amine is C=C(N)C(F)C(CCCC)C(C)=C1CC1.
What is the InChIKey of 4-(1-cyclopropylideneethyl)-3-fluorooct-1-en-2-amine?
The InChIKey is FAXIOLRSDHQDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN/c1-4-5-6-12(13(14)10(3)15)9(2)11-7-8-11/h12-13H,3-8,15H2,1-2H3.
What are the key properties of 4-(1-cyclopropylideneethyl)-3-fluorooct-1-en-2-amine?
4-(1-cyclopropylideneethyl)-3-fluorooct-1-en-2-amine has a molecular weight of 211.32 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylideneethyl)-3-fluorooct-1-en-2-amine is sourced from PubChem (CID 142070751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).