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

C14H12F14O — CID 139751233

IUPAC4,5,5,5-tetrafluoro-2-methyl-3-[4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]oxy-4-(trifluoromethyl)pent-1-ene
SMILESC=C(C)C(OC(C(=C)C)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H12F14O/c1-5(2)7(9(15,11(17,18)19)12(20,21)22)29-8(6(3)4)10(16,13(23,24)25)14(26,27)28/h7-8H,1,3H2,2,4H3
InChIKeyQMMFKCQRANZAAC-UHFFFAOYSA-N
MW462.22 g/mol
LogP6.56
Rot. Bonds6

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

4,5,5,5-tetrafluoro-2-methyl-3-[4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]oxy-4-(trifluoromethyl)pent-1-ene (PubChem CID 139751233) has the molecular formula C14H12F14O and a molecular weight of 462.22 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-2-methyl-3-[4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]oxy-4-(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-2-methyl-3-[4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]oxy-4-(trifluoromethyl)pent-1-ene
PubChem CID139751233
Molecular FormulaC14H12F14O
Molecular Weight462.22 g/mol
Exact Mass462.07
IUPAC Name4,5,5,5-tetrafluoro-2-methyl-3-[4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]oxy-4-(trifluoromethyl)pent-1-ene
SMILESC=C(C)C(OC(C(=C)C)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H12F14O/c1-5(2)7(9(15,11(17,18)19)12(20,21)22)29-8(6(3)4)10(16,13(23,24)25)14(26,27)28/h7-8H,1,3H2,2,4H3
InChIKeyQMMFKCQRANZAAC-UHFFFAOYSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.22
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4,5,5,5-tetrafluoro-2-methyl-3-[4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]oxy-4-(trifluoromethyl)pent-1-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 4,5,5,5-tetrafluoro-2-methyl-3-[4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]oxy-4-(trifluoromethyl)pent-1-ene?
The IUPAC name of 4,5,5,5-tetrafluoro-2-methyl-3-[4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]oxy-4-(trifluoromethyl)pent-1-ene (CID 139751233) is 4,5,5,5-tetrafluoro-2-methyl-3-[4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]oxy-4-(trifluoromethyl)pent-1-ene.
What is the SMILES notation for 4,5,5,5-tetrafluoro-2-methyl-3-[4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]oxy-4-(trifluoromethyl)pent-1-ene?
The canonical SMILES for 4,5,5,5-tetrafluoro-2-methyl-3-[4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]oxy-4-(trifluoromethyl)pent-1-ene is C=C(C)C(OC(C(=C)C)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,5,5,5-tetrafluoro-2-methyl-3-[4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]oxy-4-(trifluoromethyl)pent-1-ene?
The InChIKey is QMMFKCQRANZAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F14O/c1-5(2)7(9(15,11(17,18)19)12(20,21)22)29-8(6(3)4)10(16,13(23,24)25)14(26,27)28/h7-8H,1,3H2,2,4H3.
What are the key properties of 4,5,5,5-tetrafluoro-2-methyl-3-[4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]oxy-4-(trifluoromethyl)pent-1-ene?
4,5,5,5-tetrafluoro-2-methyl-3-[4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]oxy-4-(trifluoromethyl)pent-1-ene has a molecular weight of 462.22 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,5-tetrafluoro-2-methyl-3-[4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]oxy-4-(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 139751233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).