(2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine

C9H15F2N — CID 134365754

IUPAC(2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine
SMILESC/C=C(\C=C(\F)C(C)CF)NC
InChIInChI=1S/C9H15F2N/c1-4-8(12-3)5-9(11)7(2)6-10/h4-5,7,12H,6H2,1-3H3/b8-4+,9-5+
InChIKeyLVBWYPWHPASBQV-KBXRYBNXSA-N
MW175.22 g/mol
LogP2.57
Rot. Bonds4

About (2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine

(2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine (PubChem CID 134365754) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is (2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine
PubChem CID134365754
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name(2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine
SMILESC/C=C(\C=C(\F)C(C)CF)NC
InChIInChI=1S/C9H15F2N/c1-4-8(12-3)5-9(11)7(2)6-10/h4-5,7,12H,6H2,1-3H3/b8-4+,9-5+
InChIKeyLVBWYPWHPASBQV-KBXRYBNXSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine?
The IUPAC name of (2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine (CID 134365754) is (2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine?
The canonical SMILES for (2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine is C/C=C(\C=C(\F)C(C)CF)NC.
What is the InChIKey of (2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine?
The InChIKey is LVBWYPWHPASBQV-KBXRYBNXSA-N. The full InChI is InChI=1S/C9H15F2N/c1-4-8(12-3)5-9(11)7(2)6-10/h4-5,7,12H,6H2,1-3H3/b8-4+,9-5+.
What are the key properties of (2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine?
(2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine has a molecular weight of 175.22 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine is sourced from PubChem (CID 134365754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).