6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane

C15H27F2N — CID 145030852

IUPAC6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane
SMILESC=C(N)C(/C=C\C)CC(=C)C(F)(F)CC.CCC
InChIInChI=1S/C12H19F2N.C3H8/c1-5-7-11(10(4)15)8-9(3)12(13,14)6-2;1-3-2/h5,7,11H,3-4,6,8,15H2,1-2H3;3H2,1-2H3/b7-5-;
InChIKeyJRZGJOGNSZNXLF-YJOCEBFMSA-N
MW259.38 g/mol
LogP5.06
Rot. Bonds6

About 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane

6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane (PubChem CID 145030852) has the molecular formula C15H27F2N and a molecular weight of 259.38 g/mol. Its IUPAC name is 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane.

Molecular Properties

Compound Name6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane
PubChem CID145030852
Molecular FormulaC15H27F2N
Molecular Weight259.38 g/mol
Exact Mass259.21
IUPAC Name6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane
SMILESC=C(N)C(/C=C\C)CC(=C)C(F)(F)CC.CCC
InChIInChI=1S/C12H19F2N.C3H8/c1-5-7-11(10(4)15)8-9(3)12(13,14)6-2;1-3-2/h5,7,11H,3-4,6,8,15H2,1-2H3;3H2,1-2H3/b7-5-;
InChIKeyJRZGJOGNSZNXLF-YJOCEBFMSA-N
XLogP5.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.38
LogP ≤ 55.06
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 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane?
The IUPAC name of 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane (CID 145030852) is 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane.
What is the SMILES notation for 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane?
The canonical SMILES for 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane is C=C(N)C(/C=C\C)CC(=C)C(F)(F)CC.CCC.
What is the InChIKey of 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane?
The InChIKey is JRZGJOGNSZNXLF-YJOCEBFMSA-N. The full InChI is InChI=1S/C12H19F2N.C3H8/c1-5-7-11(10(4)15)8-9(3)12(13,14)6-2;1-3-2/h5,7,11H,3-4,6,8,15H2,1-2H3;3H2,1-2H3/b7-5-;.
What are the key properties of 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane?
6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane has a molecular weight of 259.38 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane is sourced from PubChem (CID 145030852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).