5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene

C10H15F3 — CID 137451352

IUPAC5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene
SMILESC=C(CC(=C)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H15F3/c1-7(9(3,4)5)6-8(2)10(11,12)13/h1-2,6H2,3-5H3
InChIKeyWWVRSIMRMOCBCG-UHFFFAOYSA-N
MW192.22 g/mol
LogP4.10
Rot. Bonds2

About 5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene

5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene (PubChem CID 137451352) has the molecular formula C10H15F3 and a molecular weight of 192.22 g/mol. Its IUPAC name is 5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene
PubChem CID137451352
Molecular FormulaC10H15F3
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene
SMILESC=C(CC(=C)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C10H15F3/c1-7(9(3,4)5)6-8(2)10(11,12)13/h1-2,6H2,3-5H3
InChIKeyWWVRSIMRMOCBCG-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene?
The IUPAC name of 5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene (CID 137451352) is 5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene.
What is the SMILES notation for 5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene?
The canonical SMILES for 5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene is C=C(CC(=C)C(F)(F)F)C(C)(C)C.
What is the InChIKey of 5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene?
The InChIKey is WWVRSIMRMOCBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3/c1-7(9(3,4)5)6-8(2)10(11,12)13/h1-2,6H2,3-5H3.
What are the key properties of 5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene?
5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene has a molecular weight of 192.22 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-methylidene-2-(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 137451352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).