(3E)-6,7-difluorohepta-1,3-dien-3-amine

C7H11F2N — CID 89074111

IUPAC(3E)-6,7-difluorohepta-1,3-dien-3-amine
SMILESC=C/C(N)=C\CC(F)CF
InChIInChI=1S/C7H11F2N/c1-2-7(10)4-3-6(9)5-8/h2,4,6H,1,3,5,10H2/b7-4+
InChIKeyNKLVOCYWDFICGE-QPJJXVBHSA-N
MW147.17 g/mol
LogP1.71
Rot. Bonds4

About (3E)-6,7-difluorohepta-1,3-dien-3-amine

(3E)-6,7-difluorohepta-1,3-dien-3-amine (PubChem CID 89074111) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is (3E)-6,7-difluorohepta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-6,7-difluorohepta-1,3-dien-3-amine
PubChem CID89074111
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(3E)-6,7-difluorohepta-1,3-dien-3-amine
SMILESC=C/C(N)=C\CC(F)CF
InChIInChI=1S/C7H11F2N/c1-2-7(10)4-3-6(9)5-8/h2,4,6H,1,3,5,10H2/b7-4+
InChIKeyNKLVOCYWDFICGE-QPJJXVBHSA-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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Related Compounds

p-Di-fluoroaniline
CID 21087358
1,5-Cyclohexadienylamine
CID 20196055
2-Propylidene allyl amine
CID 129776872
6-Fluorocyclohexa-1,5-dien-1-amine
CID 17949770
1,2-Difluorocyclohexa-3,5-diene-1,3-diamine
CID 67057870
4-(Trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
CID 67649794
4-Fluorocyclohexa-1,3-dien-1-amine
CID 68030455
4,5-Difluorocyclohexa-1,5-dien-1-amine
CID 68322278
4-Fluorocyclohexa-1,5-dien-1-amine
CID 68342081
5-Fluorocyclohexa-1,5-dien-1-amine
CID 68342260
1-Fluorocyclohexa-2,4-dien-1-amine
CID 68621009
3,5-Difluorocyclohexa-1,5-dien-1-amine
CID 70309077

Frequently Asked Questions

What is the IUPAC name of (3E)-6,7-difluorohepta-1,3-dien-3-amine?
The IUPAC name of (3E)-6,7-difluorohepta-1,3-dien-3-amine (CID 89074111) is (3E)-6,7-difluorohepta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-6,7-difluorohepta-1,3-dien-3-amine?
The canonical SMILES for (3E)-6,7-difluorohepta-1,3-dien-3-amine is C=C/C(N)=C\CC(F)CF.
What is the InChIKey of (3E)-6,7-difluorohepta-1,3-dien-3-amine?
The InChIKey is NKLVOCYWDFICGE-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H11F2N/c1-2-7(10)4-3-6(9)5-8/h2,4,6H,1,3,5,10H2/b7-4+.
What are the key properties of (3E)-6,7-difluorohepta-1,3-dien-3-amine?
(3E)-6,7-difluorohepta-1,3-dien-3-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 (3E)-6,7-difluorohepta-1,3-dien-3-amine is sourced from PubChem (CID 89074111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).