1-fluorooct-7-en-2-amine

C8H16FN — CID 20521926

IUPAC1-fluorooct-7-en-2-amine
SMILESC=CCCCCC(N)CF
InChIInChI=1S/C8H16FN/c1-2-3-4-5-6-8(10)7-9/h2,8H,1,3-7,10H2
InChIKeyQXBJDFIKSIDXGJ-UHFFFAOYSA-N
MW145.22 g/mol
LogP2.03
Rot. Bonds6

About 1-fluorooct-7-en-2-amine

1-fluorooct-7-en-2-amine (PubChem CID 20521926) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 1-fluorooct-7-en-2-amine.

Molecular Properties

Compound Name1-fluorooct-7-en-2-amine
PubChem CID20521926
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name1-fluorooct-7-en-2-amine
SMILESC=CCCCCC(N)CF
InChIInChI=1S/C8H16FN/c1-2-3-4-5-6-8(10)7-9/h2,8H,1,3-7,10H2
InChIKeyQXBJDFIKSIDXGJ-UHFFFAOYSA-N
XLogP2.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluorooct-7-en-2-amine?
The IUPAC name of 1-fluorooct-7-en-2-amine (CID 20521926) is 1-fluorooct-7-en-2-amine.
What is the SMILES notation for 1-fluorooct-7-en-2-amine?
The canonical SMILES for 1-fluorooct-7-en-2-amine is C=CCCCCC(N)CF.
What is the InChIKey of 1-fluorooct-7-en-2-amine?
The InChIKey is QXBJDFIKSIDXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-2-3-4-5-6-8(10)7-9/h2,8H,1,3-7,10H2.
What are the key properties of 1-fluorooct-7-en-2-amine?
1-fluorooct-7-en-2-amine has a molecular weight of 145.22 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorooct-7-en-2-amine is sourced from PubChem (CID 20521926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).