(Z)-2-ethyl-5-fluorohex-3-en-1-amine

C8H16FN — CID 89090863

IUPAC(Z)-2-ethyl-5-fluorohex-3-en-1-amine
SMILESCCC(/C=C\C(C)F)CN
InChIInChI=1S/C8H16FN/c1-3-8(6-10)5-4-7(2)9/h4-5,7-8H,3,6,10H2,1-2H3/b5-4-
InChIKeyXCEHOEHIXBMFPM-PLNGDYQASA-N
MW145.22 g/mol
LogP1.89
Rot. Bonds4

About (Z)-2-ethyl-5-fluorohex-3-en-1-amine

(Z)-2-ethyl-5-fluorohex-3-en-1-amine (PubChem CID 89090863) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (Z)-2-ethyl-5-fluorohex-3-en-1-amine.

Molecular Properties

Compound Name(Z)-2-ethyl-5-fluorohex-3-en-1-amine
PubChem CID89090863
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(Z)-2-ethyl-5-fluorohex-3-en-1-amine
SMILESCCC(/C=C\C(C)F)CN
InChIInChI=1S/C8H16FN/c1-3-8(6-10)5-4-7(2)9/h4-5,7-8H,3,6,10H2,1-2H3/b5-4-
InChIKeyXCEHOEHIXBMFPM-PLNGDYQASA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.89
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 (Z)-2-ethyl-5-fluorohex-3-en-1-amine?
The IUPAC name of (Z)-2-ethyl-5-fluorohex-3-en-1-amine (CID 89090863) is (Z)-2-ethyl-5-fluorohex-3-en-1-amine.
What is the SMILES notation for (Z)-2-ethyl-5-fluorohex-3-en-1-amine?
The canonical SMILES for (Z)-2-ethyl-5-fluorohex-3-en-1-amine is CCC(/C=C\C(C)F)CN.
What is the InChIKey of (Z)-2-ethyl-5-fluorohex-3-en-1-amine?
The InChIKey is XCEHOEHIXBMFPM-PLNGDYQASA-N. The full InChI is InChI=1S/C8H16FN/c1-3-8(6-10)5-4-7(2)9/h4-5,7-8H,3,6,10H2,1-2H3/b5-4-.
What are the key properties of (Z)-2-ethyl-5-fluorohex-3-en-1-amine?
(Z)-2-ethyl-5-fluorohex-3-en-1-amine has a molecular weight of 145.22 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-5-fluorohex-3-en-1-amine is sourced from PubChem (CID 89090863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).