(E)-N-ethenyl-3,3-difluorohept-5-en-1-amine

C9H15F2N — CID 155472917

IUPAC(E)-N-ethenyl-3,3-difluorohept-5-en-1-amine
SMILESC=CNCCC(F)(F)C/C=C/C
InChIInChI=1S/C9H15F2N/c1-3-5-6-9(10,11)7-8-12-4-2/h3-5,12H,2,6-8H2,1H3/b5-3+
InChIKeyXZLLZZMUXXEHDO-HWKANZROSA-N
MW175.22 g/mol
LogP2.71
Rot. Bonds6

About (E)-N-ethenyl-3,3-difluorohept-5-en-1-amine

(E)-N-ethenyl-3,3-difluorohept-5-en-1-amine (PubChem CID 155472917) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is (E)-N-ethenyl-3,3-difluorohept-5-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethenyl-3,3-difluorohept-5-en-1-amine
PubChem CID155472917
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name(E)-N-ethenyl-3,3-difluorohept-5-en-1-amine
SMILESC=CNCCC(F)(F)C/C=C/C
InChIInChI=1S/C9H15F2N/c1-3-5-6-9(10,11)7-8-12-4-2/h3-5,12H,2,6-8H2,1H3/b5-3+
InChIKeyXZLLZZMUXXEHDO-HWKANZROSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.71
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 (E)-N-ethenyl-3,3-difluorohept-5-en-1-amine?
The IUPAC name of (E)-N-ethenyl-3,3-difluorohept-5-en-1-amine (CID 155472917) is (E)-N-ethenyl-3,3-difluorohept-5-en-1-amine.
What is the SMILES notation for (E)-N-ethenyl-3,3-difluorohept-5-en-1-amine?
The canonical SMILES for (E)-N-ethenyl-3,3-difluorohept-5-en-1-amine is C=CNCCC(F)(F)C/C=C/C.
What is the InChIKey of (E)-N-ethenyl-3,3-difluorohept-5-en-1-amine?
The InChIKey is XZLLZZMUXXEHDO-HWKANZROSA-N. The full InChI is InChI=1S/C9H15F2N/c1-3-5-6-9(10,11)7-8-12-4-2/h3-5,12H,2,6-8H2,1H3/b5-3+.
What are the key properties of (E)-N-ethenyl-3,3-difluorohept-5-en-1-amine?
(E)-N-ethenyl-3,3-difluorohept-5-en-1-amine has a molecular weight of 175.22 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-3,3-difluorohept-5-en-1-amine is sourced from PubChem (CID 155472917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).