(3E)-2,6,6-trifluoro-8-methylnona-1,3-diene

C10H15F3 — CID 58911970

IUPAC(3E)-2,6,6-trifluoro-8-methylnona-1,3-diene
SMILESC=C(F)/C=C/CC(F)(F)CC(C)C
InChIInChI=1S/C10H15F3/c1-8(2)7-10(12,13)6-4-5-9(3)11/h4-5,8H,3,6-7H2,1-2H3/b5-4+
InChIKeyRGNREWMQJBIJLW-SNAWJCMRSA-N
MW192.22 g/mol
LogP4.10
Rot. Bonds5

About (3E)-2,6,6-trifluoro-8-methylnona-1,3-diene

(3E)-2,6,6-trifluoro-8-methylnona-1,3-diene (PubChem CID 58911970) has the molecular formula C10H15F3 and a molecular weight of 192.22 g/mol. Its IUPAC name is (3E)-2,6,6-trifluoro-8-methylnona-1,3-diene.

Molecular Properties

Compound Name(3E)-2,6,6-trifluoro-8-methylnona-1,3-diene
PubChem CID58911970
Molecular FormulaC10H15F3
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name(3E)-2,6,6-trifluoro-8-methylnona-1,3-diene
SMILESC=C(F)/C=C/CC(F)(F)CC(C)C
InChIInChI=1S/C10H15F3/c1-8(2)7-10(12,13)6-4-5-9(3)11/h4-5,8H,3,6-7H2,1-2H3/b5-4+
InChIKeyRGNREWMQJBIJLW-SNAWJCMRSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-2,6,6-trifluoro-8-methylnona-1,3-diene?
The IUPAC name of (3E)-2,6,6-trifluoro-8-methylnona-1,3-diene (CID 58911970) is (3E)-2,6,6-trifluoro-8-methylnona-1,3-diene.
What is the SMILES notation for (3E)-2,6,6-trifluoro-8-methylnona-1,3-diene?
The canonical SMILES for (3E)-2,6,6-trifluoro-8-methylnona-1,3-diene is C=C(F)/C=C/CC(F)(F)CC(C)C.
What is the InChIKey of (3E)-2,6,6-trifluoro-8-methylnona-1,3-diene?
The InChIKey is RGNREWMQJBIJLW-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H15F3/c1-8(2)7-10(12,13)6-4-5-9(3)11/h4-5,8H,3,6-7H2,1-2H3/b5-4+.
What are the key properties of (3E)-2,6,6-trifluoro-8-methylnona-1,3-diene?
(3E)-2,6,6-trifluoro-8-methylnona-1,3-diene has a molecular weight of 192.22 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,6,6-trifluoro-8-methylnona-1,3-diene is sourced from PubChem (CID 58911970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).