1,1,1,3-tetrafluoro-4-[3,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-3-en-2-yl]oxy-2-(trifluoromethyl)pent-2-ene

C12H8F14O — CID 139671200

IUPAC1,1,1,3-tetrafluoro-4-[3,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-3-en-2-yl]oxy-2-(trifluoromethyl)pent-2-ene
SMILESCC(OC(C)C(F)=C(C(F)(F)F)C(F)(F)F)C(F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H8F14O/c1-3(5(13)7(9(15,16)17)10(18,19)20)27-4(2)6(14)8(11(21,22)23)12(24,25)26/h3-4H,1-2H3
InChIKeyIBMPANUIDMCVRJ-UHFFFAOYSA-N
MW434.17 g/mol
LogP6.48
Rot. Bonds4

About 1,1,1,3-tetrafluoro-4-[3,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-3-en-2-yl]oxy-2-(trifluoromethyl)pent-2-ene

1,1,1,3-tetrafluoro-4-[3,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-3-en-2-yl]oxy-2-(trifluoromethyl)pent-2-ene (PubChem CID 139671200) has the molecular formula C12H8F14O and a molecular weight of 434.17 g/mol. Its IUPAC name is 1,1,1,3-tetrafluoro-4-[3,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-3-en-2-yl]oxy-2-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1,3-tetrafluoro-4-[3,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-3-en-2-yl]oxy-2-(trifluoromethyl)pent-2-ene
PubChem CID139671200
Molecular FormulaC12H8F14O
Molecular Weight434.17 g/mol
Exact Mass434.04
IUPAC Name1,1,1,3-tetrafluoro-4-[3,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-3-en-2-yl]oxy-2-(trifluoromethyl)pent-2-ene
SMILESCC(OC(C)C(F)=C(C(F)(F)F)C(F)(F)F)C(F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H8F14O/c1-3(5(13)7(9(15,16)17)10(18,19)20)27-4(2)6(14)8(11(21,22)23)12(24,25)26/h3-4H,1-2H3
InChIKeyIBMPANUIDMCVRJ-UHFFFAOYSA-N
XLogP6.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.17
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1,3-tetrafluoro-4-[3,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-3-en-2-yl]oxy-2-(trifluoromethyl)pent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3-tetrafluoro-4-[3,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-3-en-2-yl]oxy-2-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1,3-tetrafluoro-4-[3,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-3-en-2-yl]oxy-2-(trifluoromethyl)pent-2-ene (CID 139671200) is 1,1,1,3-tetrafluoro-4-[3,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-3-en-2-yl]oxy-2-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1,3-tetrafluoro-4-[3,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-3-en-2-yl]oxy-2-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1,3-tetrafluoro-4-[3,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-3-en-2-yl]oxy-2-(trifluoromethyl)pent-2-ene is CC(OC(C)C(F)=C(C(F)(F)F)C(F)(F)F)C(F)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3-tetrafluoro-4-[3,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-3-en-2-yl]oxy-2-(trifluoromethyl)pent-2-ene?
The InChIKey is IBMPANUIDMCVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F14O/c1-3(5(13)7(9(15,16)17)10(18,19)20)27-4(2)6(14)8(11(21,22)23)12(24,25)26/h3-4H,1-2H3.
What are the key properties of 1,1,1,3-tetrafluoro-4-[3,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-3-en-2-yl]oxy-2-(trifluoromethyl)pent-2-ene?
1,1,1,3-tetrafluoro-4-[3,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-3-en-2-yl]oxy-2-(trifluoromethyl)pent-2-ene has a molecular weight of 434.17 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3-tetrafluoro-4-[3,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-3-en-2-yl]oxy-2-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 139671200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).