(E)-5,5-difluoro-N-propan-2-ylpent-3-en-1-amine

C8H15F2N — CID 80605314

IUPAC(E)-5,5-difluoro-N-propan-2-ylpent-3-en-1-amine
SMILESCC(C)NCC/C=C/C(F)F
InChIInChI=1S/C8H15F2N/c1-7(2)11-6-4-3-5-8(9)10/h3,5,7-8,11H,4,6H2,1-2H3/b5-3+
InChIKeyPSTXERMXYJVNAG-HWKANZROSA-N
MW163.21 g/mol
LogP2.20
Rot. Bonds5

About (E)-5,5-difluoro-N-propan-2-ylpent-3-en-1-amine

(E)-5,5-difluoro-N-propan-2-ylpent-3-en-1-amine (PubChem CID 80605314) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is (E)-5,5-difluoro-N-propan-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-5,5-difluoro-N-propan-2-ylpent-3-en-1-amine
PubChem CID80605314
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name(E)-5,5-difluoro-N-propan-2-ylpent-3-en-1-amine
SMILESCC(C)NCC/C=C/C(F)F
InChIInChI=1S/C8H15F2N/c1-7(2)11-6-4-3-5-8(9)10/h3,5,7-8,11H,4,6H2,1-2H3/b5-3+
InChIKeyPSTXERMXYJVNAG-HWKANZROSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.20
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)-5,5-difluoro-N-propan-2-ylpent-3-en-1-amine?
The IUPAC name of (E)-5,5-difluoro-N-propan-2-ylpent-3-en-1-amine (CID 80605314) is (E)-5,5-difluoro-N-propan-2-ylpent-3-en-1-amine.
What is the SMILES notation for (E)-5,5-difluoro-N-propan-2-ylpent-3-en-1-amine?
The canonical SMILES for (E)-5,5-difluoro-N-propan-2-ylpent-3-en-1-amine is CC(C)NCC/C=C/C(F)F.
What is the InChIKey of (E)-5,5-difluoro-N-propan-2-ylpent-3-en-1-amine?
The InChIKey is PSTXERMXYJVNAG-HWKANZROSA-N. The full InChI is InChI=1S/C8H15F2N/c1-7(2)11-6-4-3-5-8(9)10/h3,5,7-8,11H,4,6H2,1-2H3/b5-3+.
What are the key properties of (E)-5,5-difluoro-N-propan-2-ylpent-3-en-1-amine?
(E)-5,5-difluoro-N-propan-2-ylpent-3-en-1-amine has a molecular weight of 163.21 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5-difluoro-N-propan-2-ylpent-3-en-1-amine is sourced from PubChem (CID 80605314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).