(2Z,4E)-6,6-difluoro-5-methyl-2-propan-2-ylhepta-2,4-dien-1-imine

C11H17F2N — CID 146580822

IUPAC(2Z,4E)-6,6-difluoro-5-methyl-2-propan-2-ylhepta-2,4-dien-1-imine
SMILES[H]/N=C/C(=C\C=C(/C)C(C)(F)F)C(C)C
InChIInChI=1S/C11H17F2N/c1-8(2)10(7-14)6-5-9(3)11(4,12)13/h5-8,14H,1-4H3/b9-5+,10-6+,14-7+
InChIKeyKAEQOFBNQKHGSD-JPDLCMCMSA-N
MW201.26 g/mol
LogP3.82
Rot. Bonds4

About (2Z,4E)-6,6-difluoro-5-methyl-2-propan-2-ylhepta-2,4-dien-1-imine

(2Z,4E)-6,6-difluoro-5-methyl-2-propan-2-ylhepta-2,4-dien-1-imine (PubChem CID 146580822) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is (2Z,4E)-6,6-difluoro-5-methyl-2-propan-2-ylhepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-6,6-difluoro-5-methyl-2-propan-2-ylhepta-2,4-dien-1-imine
PubChem CID146580822
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name(2Z,4E)-6,6-difluoro-5-methyl-2-propan-2-ylhepta-2,4-dien-1-imine
SMILES[H]/N=C/C(=C\C=C(/C)C(C)(F)F)C(C)C
InChIInChI=1S/C11H17F2N/c1-8(2)10(7-14)6-5-9(3)11(4,12)13/h5-8,14H,1-4H3/b9-5+,10-6+,14-7+
InChIKeyKAEQOFBNQKHGSD-JPDLCMCMSA-N
XLogP3.82
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 53.82
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 (2Z,4E)-6,6-difluoro-5-methyl-2-propan-2-ylhepta-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-6,6-difluoro-5-methyl-2-propan-2-ylhepta-2,4-dien-1-imine (CID 146580822) is (2Z,4E)-6,6-difluoro-5-methyl-2-propan-2-ylhepta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-6,6-difluoro-5-methyl-2-propan-2-ylhepta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-6,6-difluoro-5-methyl-2-propan-2-ylhepta-2,4-dien-1-imine is [H]/N=C/C(=C\C=C(/C)C(C)(F)F)C(C)C.
What is the InChIKey of (2Z,4E)-6,6-difluoro-5-methyl-2-propan-2-ylhepta-2,4-dien-1-imine?
The InChIKey is KAEQOFBNQKHGSD-JPDLCMCMSA-N. The full InChI is InChI=1S/C11H17F2N/c1-8(2)10(7-14)6-5-9(3)11(4,12)13/h5-8,14H,1-4H3/b9-5+,10-6+,14-7+.
What are the key properties of (2Z,4E)-6,6-difluoro-5-methyl-2-propan-2-ylhepta-2,4-dien-1-imine?
(2Z,4E)-6,6-difluoro-5-methyl-2-propan-2-ylhepta-2,4-dien-1-imine has a molecular weight of 201.26 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-6,6-difluoro-5-methyl-2-propan-2-ylhepta-2,4-dien-1-imine is sourced from PubChem (CID 146580822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).