2-but-3-enyl-6-fluoro-7-methyloct-7-en-1-amine

C13H24FN — CID 123370378

IUPAC2-but-3-enyl-6-fluoro-7-methyloct-7-en-1-amine
SMILESC=CCCC(CN)CCCC(F)C(=C)C
InChIInChI=1S/C13H24FN/c1-4-5-7-12(10-15)8-6-9-13(14)11(2)3/h4,12-13H,1-2,5-10,15H2,3H3
InChIKeyHBJLPZFSWCDONM-UHFFFAOYSA-N
MW213.34 g/mol
LogP3.61
Rot. Bonds9

About 2-but-3-enyl-6-fluoro-7-methyloct-7-en-1-amine

2-but-3-enyl-6-fluoro-7-methyloct-7-en-1-amine (PubChem CID 123370378) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is 2-but-3-enyl-6-fluoro-7-methyloct-7-en-1-amine.

Molecular Properties

Compound Name2-but-3-enyl-6-fluoro-7-methyloct-7-en-1-amine
PubChem CID123370378
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name2-but-3-enyl-6-fluoro-7-methyloct-7-en-1-amine
SMILESC=CCCC(CN)CCCC(F)C(=C)C
InChIInChI=1S/C13H24FN/c1-4-5-7-12(10-15)8-6-9-13(14)11(2)3/h4,12-13H,1-2,5-10,15H2,3H3
InChIKeyHBJLPZFSWCDONM-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.61
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 2-but-3-enyl-6-fluoro-7-methyloct-7-en-1-amine?
The IUPAC name of 2-but-3-enyl-6-fluoro-7-methyloct-7-en-1-amine (CID 123370378) is 2-but-3-enyl-6-fluoro-7-methyloct-7-en-1-amine.
What is the SMILES notation for 2-but-3-enyl-6-fluoro-7-methyloct-7-en-1-amine?
The canonical SMILES for 2-but-3-enyl-6-fluoro-7-methyloct-7-en-1-amine is C=CCCC(CN)CCCC(F)C(=C)C.
What is the InChIKey of 2-but-3-enyl-6-fluoro-7-methyloct-7-en-1-amine?
The InChIKey is HBJLPZFSWCDONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN/c1-4-5-7-12(10-15)8-6-9-13(14)11(2)3/h4,12-13H,1-2,5-10,15H2,3H3.
What are the key properties of 2-but-3-enyl-6-fluoro-7-methyloct-7-en-1-amine?
2-but-3-enyl-6-fluoro-7-methyloct-7-en-1-amine has a molecular weight of 213.34 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-6-fluoro-7-methyloct-7-en-1-amine is sourced from PubChem (CID 123370378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).