(4Z)-2,6-difluorohepta-4,6-dien-1-amine

C7H11F2N — CID 89154005

IUPAC(4Z)-2,6-difluorohepta-4,6-dien-1-amine
SMILESC=C(F)/C=C\CC(F)CN
InChIInChI=1S/C7H11F2N/c1-6(8)3-2-4-7(9)5-10/h2-3,7H,1,4-5,10H2/b3-2-
InChIKeyKAUNWULCJUDSHB-IHWYPQMZSA-N
MW147.17 g/mol
LogP1.71
Rot. Bonds4

About (4Z)-2,6-difluorohepta-4,6-dien-1-amine

(4Z)-2,6-difluorohepta-4,6-dien-1-amine (PubChem CID 89154005) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is (4Z)-2,6-difluorohepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z)-2,6-difluorohepta-4,6-dien-1-amine
PubChem CID89154005
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(4Z)-2,6-difluorohepta-4,6-dien-1-amine
SMILESC=C(F)/C=C\CC(F)CN
InChIInChI=1S/C7H11F2N/c1-6(8)3-2-4-7(9)5-10/h2-3,7H,1,4-5,10H2/b3-2-
InChIKeyKAUNWULCJUDSHB-IHWYPQMZSA-N
XLogP1.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.71
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 (4Z)-2,6-difluorohepta-4,6-dien-1-amine?
The IUPAC name of (4Z)-2,6-difluorohepta-4,6-dien-1-amine (CID 89154005) is (4Z)-2,6-difluorohepta-4,6-dien-1-amine.
What is the SMILES notation for (4Z)-2,6-difluorohepta-4,6-dien-1-amine?
The canonical SMILES for (4Z)-2,6-difluorohepta-4,6-dien-1-amine is C=C(F)/C=C\CC(F)CN.
What is the InChIKey of (4Z)-2,6-difluorohepta-4,6-dien-1-amine?
The InChIKey is KAUNWULCJUDSHB-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H11F2N/c1-6(8)3-2-4-7(9)5-10/h2-3,7H,1,4-5,10H2/b3-2-.
What are the key properties of (4Z)-2,6-difluorohepta-4,6-dien-1-amine?
(4Z)-2,6-difluorohepta-4,6-dien-1-amine has a molecular weight of 147.17 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2,6-difluorohepta-4,6-dien-1-amine is sourced from PubChem (CID 89154005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).