1,3,3,3-tetrafluoro-1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]-2-(trifluoromethyl)prop-1-ene

C8F14O — CID 18977471

IUPAC1,3,3,3-tetrafluoro-1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]-2-(trifluoromethyl)prop-1-ene
SMILESFC(OC(F)=C(C(F)(F)F)C(F)(F)F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8F14O/c9-3(1(5(11,12)13)6(14,15)16)23-4(10)2(7(17,18)19)8(20,21)22
InChIKeyLCRBBUPAHHPMMY-UHFFFAOYSA-N
MW378.06 g/mol
LogP5.61
Rot. Bonds2

About 1,3,3,3-tetrafluoro-1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]-2-(trifluoromethyl)prop-1-ene

1,3,3,3-tetrafluoro-1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]-2-(trifluoromethyl)prop-1-ene (PubChem CID 18977471) has the molecular formula C8F14O and a molecular weight of 378.06 g/mol. Its IUPAC name is 1,3,3,3-tetrafluoro-1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]-2-(trifluoromethyl)prop-1-ene.

Molecular Properties

Compound Name1,3,3,3-tetrafluoro-1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]-2-(trifluoromethyl)prop-1-ene
PubChem CID18977471
Molecular FormulaC8F14O
Molecular Weight378.06 g/mol
Exact Mass377.97
IUPAC Name1,3,3,3-tetrafluoro-1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]-2-(trifluoromethyl)prop-1-ene
SMILESFC(OC(F)=C(C(F)(F)F)C(F)(F)F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8F14O/c9-3(1(5(11,12)13)6(14,15)16)23-4(10)2(7(17,18)19)8(20,21)22
InChIKeyLCRBBUPAHHPMMY-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.06
LogP ≤ 55.61
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 1,3,3,3-tetrafluoro-1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]-2-(trifluoromethyl)prop-1-ene?
The IUPAC name of 1,3,3,3-tetrafluoro-1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]-2-(trifluoromethyl)prop-1-ene (CID 18977471) is 1,3,3,3-tetrafluoro-1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]-2-(trifluoromethyl)prop-1-ene.
What is the SMILES notation for 1,3,3,3-tetrafluoro-1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]-2-(trifluoromethyl)prop-1-ene?
The canonical SMILES for 1,3,3,3-tetrafluoro-1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]-2-(trifluoromethyl)prop-1-ene is FC(OC(F)=C(C(F)(F)F)C(F)(F)F)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,3,3,3-tetrafluoro-1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]-2-(trifluoromethyl)prop-1-ene?
The InChIKey is LCRBBUPAHHPMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F14O/c9-3(1(5(11,12)13)6(14,15)16)23-4(10)2(7(17,18)19)8(20,21)22.
What are the key properties of 1,3,3,3-tetrafluoro-1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]-2-(trifluoromethyl)prop-1-ene?
1,3,3,3-tetrafluoro-1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]-2-(trifluoromethyl)prop-1-ene has a molecular weight of 378.06 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,3-tetrafluoro-1-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enoxy]-2-(trifluoromethyl)prop-1-ene is sourced from PubChem (CID 18977471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).