7,7,7-trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine

C10H12F3N — CID 91534333

IUPAC7,7,7-trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine
SMILES[H]/N=C/C=C(C)C(=C)C=C(C)C(F)(F)F
InChIInChI=1S/C10H12F3N/c1-7(4-5-14)8(2)6-9(3)10(11,12)13/h4-6,14H,2H2,1,3H3/b7-4?,9-6?,14-5+
InChIKeyMODDFAIFWHNBTD-WIWYSORTSA-N
MW203.21 g/mol
LogP3.65
Rot. Bonds3

About 7,7,7-trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine

7,7,7-trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine (PubChem CID 91534333) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 7,7,7-trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine.

Molecular Properties

Compound Name7,7,7-trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine
PubChem CID91534333
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name7,7,7-trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine
SMILES[H]/N=C/C=C(C)C(=C)C=C(C)C(F)(F)F
InChIInChI=1S/C10H12F3N/c1-7(4-5-14)8(2)6-9(3)10(11,12)13/h4-6,14H,2H2,1,3H3/b7-4?,9-6?,14-5+
InChIKeyMODDFAIFWHNBTD-WIWYSORTSA-N
XLogP3.65
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.65
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 7,7,7-trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine?
The IUPAC name of 7,7,7-trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine (CID 91534333) is 7,7,7-trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine.
What is the SMILES notation for 7,7,7-trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine?
The canonical SMILES for 7,7,7-trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine is [H]/N=C/C=C(C)C(=C)C=C(C)C(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine?
The InChIKey is MODDFAIFWHNBTD-WIWYSORTSA-N. The full InChI is InChI=1S/C10H12F3N/c1-7(4-5-14)8(2)6-9(3)10(11,12)13/h4-6,14H,2H2,1,3H3/b7-4?,9-6?,14-5+.
What are the key properties of 7,7,7-trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine?
7,7,7-trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine has a molecular weight of 203.21 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-3,6-dimethyl-4-methylidenehepta-2,5-dien-1-imine is sourced from PubChem (CID 91534333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).