(E)-1,1,1,3-tetrafluoro-2,2-dimethylhex-3-ene

C8H12F4 — CID 167058020

IUPAC(E)-1,1,1,3-tetrafluoro-2,2-dimethylhex-3-ene
SMILESCC/C=C(/F)C(C)(C)C(F)(F)F
InChIInChI=1S/C8H12F4/c1-4-5-6(9)7(2,3)8(10,11)12/h5H,4H2,1-3H3/b6-5+
InChIKeyPRGDBGOAYSLUMU-AATRIKPKSA-N
MW184.18 g/mol
LogP3.84
Rot. Bonds2

About (E)-1,1,1,3-tetrafluoro-2,2-dimethylhex-3-ene

(E)-1,1,1,3-tetrafluoro-2,2-dimethylhex-3-ene (PubChem CID 167058020) has the molecular formula C8H12F4 and a molecular weight of 184.18 g/mol. Its IUPAC name is (E)-1,1,1,3-tetrafluoro-2,2-dimethylhex-3-ene.

Molecular Properties

Compound Name(E)-1,1,1,3-tetrafluoro-2,2-dimethylhex-3-ene
PubChem CID167058020
Molecular FormulaC8H12F4
Molecular Weight184.18 g/mol
Exact Mass184.09
IUPAC Name(E)-1,1,1,3-tetrafluoro-2,2-dimethylhex-3-ene
SMILESCC/C=C(/F)C(C)(C)C(F)(F)F
InChIInChI=1S/C8H12F4/c1-4-5-6(9)7(2,3)8(10,11)12/h5H,4H2,1-3H3/b6-5+
InChIKeyPRGDBGOAYSLUMU-AATRIKPKSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,3-tetrafluoro-2,2-dimethylhex-3-ene?
The IUPAC name of (E)-1,1,1,3-tetrafluoro-2,2-dimethylhex-3-ene (CID 167058020) is (E)-1,1,1,3-tetrafluoro-2,2-dimethylhex-3-ene.
What is the SMILES notation for (E)-1,1,1,3-tetrafluoro-2,2-dimethylhex-3-ene?
The canonical SMILES for (E)-1,1,1,3-tetrafluoro-2,2-dimethylhex-3-ene is CC/C=C(/F)C(C)(C)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,3-tetrafluoro-2,2-dimethylhex-3-ene?
The InChIKey is PRGDBGOAYSLUMU-AATRIKPKSA-N. The full InChI is InChI=1S/C8H12F4/c1-4-5-6(9)7(2,3)8(10,11)12/h5H,4H2,1-3H3/b6-5+.
What are the key properties of (E)-1,1,1,3-tetrafluoro-2,2-dimethylhex-3-ene?
(E)-1,1,1,3-tetrafluoro-2,2-dimethylhex-3-ene has a molecular weight of 184.18 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,3-tetrafluoro-2,2-dimethylhex-3-ene is sourced from PubChem (CID 167058020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).