1,1,2-trifluoro-4,4-dimethylpent-1-ene

C7H11F3 — CID 20511542

IUPAC1,1,2-trifluoro-4,4-dimethylpent-1-ene
SMILESCC(C)(C)CC(F)=C(F)F
InChIInChI=1S/C7H11F3/c1-7(2,3)4-5(8)6(9)10/h4H2,1-3H3
InChIKeyITXQJPSTUJVOTH-UHFFFAOYSA-N
MW152.16 g/mol
LogP3.50
Rot. Bonds1

About 1,1,2-trifluoro-4,4-dimethylpent-1-ene

1,1,2-trifluoro-4,4-dimethylpent-1-ene (PubChem CID 20511542) has the molecular formula C7H11F3 and a molecular weight of 152.16 g/mol. Its IUPAC name is 1,1,2-trifluoro-4,4-dimethylpent-1-ene.

Molecular Properties

Compound Name1,1,2-trifluoro-4,4-dimethylpent-1-ene
PubChem CID20511542
Molecular FormulaC7H11F3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name1,1,2-trifluoro-4,4-dimethylpent-1-ene
SMILESCC(C)(C)CC(F)=C(F)F
InChIInChI=1S/C7H11F3/c1-7(2,3)4-5(8)6(9)10/h4H2,1-3H3
InChIKeyITXQJPSTUJVOTH-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-4,4-dimethylpent-1-ene?
The IUPAC name of 1,1,2-trifluoro-4,4-dimethylpent-1-ene (CID 20511542) is 1,1,2-trifluoro-4,4-dimethylpent-1-ene.
What is the SMILES notation for 1,1,2-trifluoro-4,4-dimethylpent-1-ene?
The canonical SMILES for 1,1,2-trifluoro-4,4-dimethylpent-1-ene is CC(C)(C)CC(F)=C(F)F.
What is the InChIKey of 1,1,2-trifluoro-4,4-dimethylpent-1-ene?
The InChIKey is ITXQJPSTUJVOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3/c1-7(2,3)4-5(8)6(9)10/h4H2,1-3H3.
What are the key properties of 1,1,2-trifluoro-4,4-dimethylpent-1-ene?
1,1,2-trifluoro-4,4-dimethylpent-1-ene has a molecular weight of 152.16 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-4,4-dimethylpent-1-ene is sourced from PubChem (CID 20511542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).