3,4,4,4-tetrafluoro-1-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-enoxy]-3-(trifluoromethyl)but-1-ene

C10H4F14O — CID 91533350

IUPAC3,4,4,4-tetrafluoro-1-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-enoxy]-3-(trifluoromethyl)but-1-ene
SMILESFC(F)(F)C(F)(C=COC=CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F14O/c11-5(7(13,14)15,8(16,17)18)1-3-25-4-2-6(12,9(19,20)21)10(22,23)24/h1-4H
InChIKeyRWMDGMFCUUZFFM-UHFFFAOYSA-N
MW406.11 g/mol
LogP5.70
Rot. Bonds4

About 3,4,4,4-tetrafluoro-1-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-enoxy]-3-(trifluoromethyl)but-1-ene

3,4,4,4-tetrafluoro-1-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-enoxy]-3-(trifluoromethyl)but-1-ene (PubChem CID 91533350) has the molecular formula C10H4F14O and a molecular weight of 406.11 g/mol. Its IUPAC name is 3,4,4,4-tetrafluoro-1-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-enoxy]-3-(trifluoromethyl)but-1-ene.

Molecular Properties

Compound Name3,4,4,4-tetrafluoro-1-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-enoxy]-3-(trifluoromethyl)but-1-ene
PubChem CID91533350
Molecular FormulaC10H4F14O
Molecular Weight406.11 g/mol
Exact Mass406.00
IUPAC Name3,4,4,4-tetrafluoro-1-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-enoxy]-3-(trifluoromethyl)but-1-ene
SMILESFC(F)(F)C(F)(C=COC=CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H4F14O/c11-5(7(13,14)15,8(16,17)18)1-3-25-4-2-6(12,9(19,20)21)10(22,23)24/h1-4H
InChIKeyRWMDGMFCUUZFFM-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.11
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,4-tetrafluoro-1-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-enoxy]-3-(trifluoromethyl)but-1-ene?
The IUPAC name of 3,4,4,4-tetrafluoro-1-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-enoxy]-3-(trifluoromethyl)but-1-ene (CID 91533350) is 3,4,4,4-tetrafluoro-1-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-enoxy]-3-(trifluoromethyl)but-1-ene.
What is the SMILES notation for 3,4,4,4-tetrafluoro-1-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-enoxy]-3-(trifluoromethyl)but-1-ene?
The canonical SMILES for 3,4,4,4-tetrafluoro-1-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-enoxy]-3-(trifluoromethyl)but-1-ene is FC(F)(F)C(F)(C=COC=CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,4,4,4-tetrafluoro-1-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-enoxy]-3-(trifluoromethyl)but-1-ene?
The InChIKey is RWMDGMFCUUZFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F14O/c11-5(7(13,14)15,8(16,17)18)1-3-25-4-2-6(12,9(19,20)21)10(22,23)24/h1-4H.
What are the key properties of 3,4,4,4-tetrafluoro-1-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-enoxy]-3-(trifluoromethyl)but-1-ene?
3,4,4,4-tetrafluoro-1-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-enoxy]-3-(trifluoromethyl)but-1-ene has a molecular weight of 406.11 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,4-tetrafluoro-1-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)but-1-enoxy]-3-(trifluoromethyl)but-1-ene is sourced from PubChem (CID 91533350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).