1,1,1-trifluoro-6-methylidenedecane

C11H19F3 — CID 146018318

IUPAC1,1,1-trifluoro-6-methylidenedecane
SMILESC=C(CCCC)CCCCC(F)(F)F
InChIInChI=1S/C11H19F3/c1-3-4-7-10(2)8-5-6-9-11(12,13)14/h2-9H2,1H3
InChIKeyJJRIRUBGKIKYNB-UHFFFAOYSA-N
MW208.27 g/mol
LogP4.86
Rot. Bonds7

About 1,1,1-trifluoro-6-methylidenedecane

1,1,1-trifluoro-6-methylidenedecane (PubChem CID 146018318) has the molecular formula C11H19F3 and a molecular weight of 208.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-6-methylidenedecane.

Molecular Properties

Compound Name1,1,1-trifluoro-6-methylidenedecane
PubChem CID146018318
Molecular FormulaC11H19F3
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name1,1,1-trifluoro-6-methylidenedecane
SMILESC=C(CCCC)CCCCC(F)(F)F
InChIInChI=1S/C11H19F3/c1-3-4-7-10(2)8-5-6-9-11(12,13)14/h2-9H2,1H3
InChIKeyJJRIRUBGKIKYNB-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-6-methylidenedecane?
The IUPAC name of 1,1,1-trifluoro-6-methylidenedecane (CID 146018318) is 1,1,1-trifluoro-6-methylidenedecane.
What is the SMILES notation for 1,1,1-trifluoro-6-methylidenedecane?
The canonical SMILES for 1,1,1-trifluoro-6-methylidenedecane is C=C(CCCC)CCCCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-6-methylidenedecane?
The InChIKey is JJRIRUBGKIKYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3/c1-3-4-7-10(2)8-5-6-9-11(12,13)14/h2-9H2,1H3.
What are the key properties of 1,1,1-trifluoro-6-methylidenedecane?
1,1,1-trifluoro-6-methylidenedecane has a molecular weight of 208.27 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-6-methylidenedecane is sourced from PubChem (CID 146018318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).