(E)-5-(fluoromethyl)hept-2-en-1-amine

C8H16FN — CID 87633570

IUPAC(E)-5-(fluoromethyl)hept-2-en-1-amine
SMILESCCC(CF)C/C=C/CN
InChIInChI=1S/C8H16FN/c1-2-8(7-9)5-3-4-6-10/h3-4,8H,2,5-7,10H2,1H3/b4-3+
InChIKeyFYKDUGRHIOMVOY-ONEGZZNKSA-N
MW145.22 g/mol
LogP1.89
Rot. Bonds5

About (E)-5-(fluoromethyl)hept-2-en-1-amine

(E)-5-(fluoromethyl)hept-2-en-1-amine (PubChem CID 87633570) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (E)-5-(fluoromethyl)hept-2-en-1-amine.

Molecular Properties

Compound Name(E)-5-(fluoromethyl)hept-2-en-1-amine
PubChem CID87633570
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(E)-5-(fluoromethyl)hept-2-en-1-amine
SMILESCCC(CF)C/C=C/CN
InChIInChI=1S/C8H16FN/c1-2-8(7-9)5-3-4-6-10/h3-4,8H,2,5-7,10H2,1H3/b4-3+
InChIKeyFYKDUGRHIOMVOY-ONEGZZNKSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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 (E)-5-(fluoromethyl)hept-2-en-1-amine?
The IUPAC name of (E)-5-(fluoromethyl)hept-2-en-1-amine (CID 87633570) is (E)-5-(fluoromethyl)hept-2-en-1-amine.
What is the SMILES notation for (E)-5-(fluoromethyl)hept-2-en-1-amine?
The canonical SMILES for (E)-5-(fluoromethyl)hept-2-en-1-amine is CCC(CF)C/C=C/CN.
What is the InChIKey of (E)-5-(fluoromethyl)hept-2-en-1-amine?
The InChIKey is FYKDUGRHIOMVOY-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H16FN/c1-2-8(7-9)5-3-4-6-10/h3-4,8H,2,5-7,10H2,1H3/b4-3+.
What are the key properties of (E)-5-(fluoromethyl)hept-2-en-1-amine?
(E)-5-(fluoromethyl)hept-2-en-1-amine has a molecular weight of 145.22 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(fluoromethyl)hept-2-en-1-amine is sourced from PubChem (CID 87633570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).