(3E,5Z)-3,6-difluoro-5-prop-1-en-2-ylhepta-3,5-dien-2-imine

C10H13F2N — CID 167231658

IUPAC(3E,5Z)-3,6-difluoro-5-prop-1-en-2-ylhepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C(F)=C/C(C(=C)C)=C(\C)F
InChIInChI=1S/C10H13F2N/c1-6(2)9(7(3)11)5-10(12)8(4)13/h5,13H,1H2,2-4H3/b9-7-,10-5+,13-8+
InChIKeyGREJUSJHJMBVHQ-QSIRDHQRSA-N
MW185.22 g/mol
LogP3.70
Rot. Bonds3

About (3E,5Z)-3,6-difluoro-5-prop-1-en-2-ylhepta-3,5-dien-2-imine

(3E,5Z)-3,6-difluoro-5-prop-1-en-2-ylhepta-3,5-dien-2-imine (PubChem CID 167231658) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is (3E,5Z)-3,6-difluoro-5-prop-1-en-2-ylhepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E,5Z)-3,6-difluoro-5-prop-1-en-2-ylhepta-3,5-dien-2-imine
PubChem CID167231658
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name(3E,5Z)-3,6-difluoro-5-prop-1-en-2-ylhepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C(F)=C/C(C(=C)C)=C(\C)F
InChIInChI=1S/C10H13F2N/c1-6(2)9(7(3)11)5-10(12)8(4)13/h5,13H,1H2,2-4H3/b9-7-,10-5+,13-8+
InChIKeyGREJUSJHJMBVHQ-QSIRDHQRSA-N
XLogP3.70
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3,6-difluoro-5-prop-1-en-2-ylhepta-3,5-dien-2-imine?
The IUPAC name of (3E,5Z)-3,6-difluoro-5-prop-1-en-2-ylhepta-3,5-dien-2-imine (CID 167231658) is (3E,5Z)-3,6-difluoro-5-prop-1-en-2-ylhepta-3,5-dien-2-imine.
What is the SMILES notation for (3E,5Z)-3,6-difluoro-5-prop-1-en-2-ylhepta-3,5-dien-2-imine?
The canonical SMILES for (3E,5Z)-3,6-difluoro-5-prop-1-en-2-ylhepta-3,5-dien-2-imine is [H]/N=C(C)/C(F)=C/C(C(=C)C)=C(\C)F.
What is the InChIKey of (3E,5Z)-3,6-difluoro-5-prop-1-en-2-ylhepta-3,5-dien-2-imine?
The InChIKey is GREJUSJHJMBVHQ-QSIRDHQRSA-N. The full InChI is InChI=1S/C10H13F2N/c1-6(2)9(7(3)11)5-10(12)8(4)13/h5,13H,1H2,2-4H3/b9-7-,10-5+,13-8+.
What are the key properties of (3E,5Z)-3,6-difluoro-5-prop-1-en-2-ylhepta-3,5-dien-2-imine?
(3E,5Z)-3,6-difluoro-5-prop-1-en-2-ylhepta-3,5-dien-2-imine has a molecular weight of 185.22 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3,6-difluoro-5-prop-1-en-2-ylhepta-3,5-dien-2-imine is sourced from PubChem (CID 167231658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).