1,1-difluoro-2,3-bis(trifluoromethyl)hex-1-ene

C8H8F8 — CID 162536512

IUPAC1,1-difluoro-2,3-bis(trifluoromethyl)hex-1-ene
SMILESCCCC(C(=C(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F8/c1-2-3-4(7(11,12)13)5(6(9)10)8(14,15)16/h4H,2-3H2,1H3
InChIKeyZJIGIRFODHBMED-UHFFFAOYSA-N
MW256.14 g/mol
LogP4.68
Rot. Bonds3

About 1,1-difluoro-2,3-bis(trifluoromethyl)hex-1-ene

1,1-difluoro-2,3-bis(trifluoromethyl)hex-1-ene (PubChem CID 162536512) has the molecular formula C8H8F8 and a molecular weight of 256.14 g/mol. Its IUPAC name is 1,1-difluoro-2,3-bis(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name1,1-difluoro-2,3-bis(trifluoromethyl)hex-1-ene
PubChem CID162536512
Molecular FormulaC8H8F8
Molecular Weight256.14 g/mol
Exact Mass256.05
IUPAC Name1,1-difluoro-2,3-bis(trifluoromethyl)hex-1-ene
SMILESCCCC(C(=C(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F8/c1-2-3-4(7(11,12)13)5(6(9)10)8(14,15)16/h4H,2-3H2,1H3
InChIKeyZJIGIRFODHBMED-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2,3-bis(trifluoromethyl)hex-1-ene?
The IUPAC name of 1,1-difluoro-2,3-bis(trifluoromethyl)hex-1-ene (CID 162536512) is 1,1-difluoro-2,3-bis(trifluoromethyl)hex-1-ene.
What is the SMILES notation for 1,1-difluoro-2,3-bis(trifluoromethyl)hex-1-ene?
The canonical SMILES for 1,1-difluoro-2,3-bis(trifluoromethyl)hex-1-ene is CCCC(C(=C(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1-difluoro-2,3-bis(trifluoromethyl)hex-1-ene?
The InChIKey is ZJIGIRFODHBMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F8/c1-2-3-4(7(11,12)13)5(6(9)10)8(14,15)16/h4H,2-3H2,1H3.
What are the key properties of 1,1-difluoro-2,3-bis(trifluoromethyl)hex-1-ene?
1,1-difluoro-2,3-bis(trifluoromethyl)hex-1-ene has a molecular weight of 256.14 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2,3-bis(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 162536512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).