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

C9H15F2N — CID 153390123

IUPAC(2E,4E)-6,6-difluoro-N,5-dimethylhepta-2,4-dien-3-amine
SMILESC/C=C(\C=C(/C)C(C)(F)F)NC
InChIInChI=1S/C9H15F2N/c1-5-8(12-4)6-7(2)9(3,10)11/h5-6,12H,1-4H3/b7-6+,8-5+
InChIKeyDTUMUYXKAPBXMI-ZCOYIIAOSA-N
MW175.22 g/mol
LogP2.71
Rot. Bonds3

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

(2E,4E)-6,6-difluoro-N,5-dimethylhepta-2,4-dien-3-amine (PubChem CID 153390123) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is (2E,4E)-6,6-difluoro-N,5-dimethylhepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4E)-6,6-difluoro-N,5-dimethylhepta-2,4-dien-3-amine
PubChem CID153390123
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name(2E,4E)-6,6-difluoro-N,5-dimethylhepta-2,4-dien-3-amine
SMILESC/C=C(\C=C(/C)C(C)(F)F)NC
InChIInChI=1S/C9H15F2N/c1-5-8(12-4)6-7(2)9(3,10)11/h5-6,12H,1-4H3/b7-6+,8-5+
InChIKeyDTUMUYXKAPBXMI-ZCOYIIAOSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6,6-difluoro-N,5-dimethylhepta-2,4-dien-3-amine?
The IUPAC name of (2E,4E)-6,6-difluoro-N,5-dimethylhepta-2,4-dien-3-amine (CID 153390123) is (2E,4E)-6,6-difluoro-N,5-dimethylhepta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4E)-6,6-difluoro-N,5-dimethylhepta-2,4-dien-3-amine?
The canonical SMILES for (2E,4E)-6,6-difluoro-N,5-dimethylhepta-2,4-dien-3-amine is C/C=C(\C=C(/C)C(C)(F)F)NC.
What is the InChIKey of (2E,4E)-6,6-difluoro-N,5-dimethylhepta-2,4-dien-3-amine?
The InChIKey is DTUMUYXKAPBXMI-ZCOYIIAOSA-N. The full InChI is InChI=1S/C9H15F2N/c1-5-8(12-4)6-7(2)9(3,10)11/h5-6,12H,1-4H3/b7-6+,8-5+.
What are the key properties of (2E,4E)-6,6-difluoro-N,5-dimethylhepta-2,4-dien-3-amine?
(2E,4E)-6,6-difluoro-N,5-dimethylhepta-2,4-dien-3-amine has a molecular weight of 175.22 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6,6-difluoro-N,5-dimethylhepta-2,4-dien-3-amine is sourced from PubChem (CID 153390123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).