7,7,7-trifluoro-6-methylhept-3-ene

C8H13F3 — CID 57248627

IUPAC7,7,7-trifluoro-6-methylhept-3-ene
SMILESCCC=CCC(C)C(F)(F)F
InChIInChI=1S/C8H13F3/c1-3-4-5-6-7(2)8(9,10)11/h4-5,7H,3,6H2,1-2H3
InChIKeyBGKHUGMHIJFFSF-UHFFFAOYSA-N
MW166.19 g/mol
LogP3.54
Rot. Bonds3

About 7,7,7-trifluoro-6-methylhept-3-ene

7,7,7-trifluoro-6-methylhept-3-ene (PubChem CID 57248627) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is 7,7,7-trifluoro-6-methylhept-3-ene.

Molecular Properties

Compound Name7,7,7-trifluoro-6-methylhept-3-ene
PubChem CID57248627
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name7,7,7-trifluoro-6-methylhept-3-ene
SMILESCCC=CCC(C)C(F)(F)F
InChIInChI=1S/C8H13F3/c1-3-4-5-6-7(2)8(9,10)11/h4-5,7H,3,6H2,1-2H3
InChIKeyBGKHUGMHIJFFSF-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 53.54
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 7,7,7-trifluoro-6-methylhept-3-ene?
The IUPAC name of 7,7,7-trifluoro-6-methylhept-3-ene (CID 57248627) is 7,7,7-trifluoro-6-methylhept-3-ene.
What is the SMILES notation for 7,7,7-trifluoro-6-methylhept-3-ene?
The canonical SMILES for 7,7,7-trifluoro-6-methylhept-3-ene is CCC=CCC(C)C(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-6-methylhept-3-ene?
The InChIKey is BGKHUGMHIJFFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3/c1-3-4-5-6-7(2)8(9,10)11/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 7,7,7-trifluoro-6-methylhept-3-ene?
7,7,7-trifluoro-6-methylhept-3-ene has a molecular weight of 166.19 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-6-methylhept-3-ene is sourced from PubChem (CID 57248627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).