4,4,4-trifluoro-3-(trifluoromethyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl]oxybut-1-ene

C10H6F12O — CID 57093812

IUPAC4,4,4-trifluoro-3-(trifluoromethyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl]oxybut-1-ene
SMILESC=CC(OC(C=C)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F12O/c1-3-5(7(11,12)13,8(14,15)16)23-6(4-2,9(17,18)19)10(20,21)22/h3-4H,1-2H2
InChIKeySORHRBQIVULCJD-UHFFFAOYSA-N
MW370.13 g/mol
LogP5.10
Rot. Bonds4

About 4,4,4-trifluoro-3-(trifluoromethyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl]oxybut-1-ene

4,4,4-trifluoro-3-(trifluoromethyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl]oxybut-1-ene (PubChem CID 57093812) has the molecular formula C10H6F12O and a molecular weight of 370.13 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(trifluoromethyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl]oxybut-1-ene.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(trifluoromethyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl]oxybut-1-ene
PubChem CID57093812
Molecular FormulaC10H6F12O
Molecular Weight370.13 g/mol
Exact Mass370.02
IUPAC Name4,4,4-trifluoro-3-(trifluoromethyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl]oxybut-1-ene
SMILESC=CC(OC(C=C)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F12O/c1-3-5(7(11,12)13,8(14,15)16)23-6(4-2,9(17,18)19)10(20,21)22/h3-4H,1-2H2
InChIKeySORHRBQIVULCJD-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.13
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(trifluoromethyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl]oxybut-1-ene?
The IUPAC name of 4,4,4-trifluoro-3-(trifluoromethyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl]oxybut-1-ene (CID 57093812) is 4,4,4-trifluoro-3-(trifluoromethyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl]oxybut-1-ene.
What is the SMILES notation for 4,4,4-trifluoro-3-(trifluoromethyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl]oxybut-1-ene?
The canonical SMILES for 4,4,4-trifluoro-3-(trifluoromethyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl]oxybut-1-ene is C=CC(OC(C=C)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(trifluoromethyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl]oxybut-1-ene?
The InChIKey is SORHRBQIVULCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F12O/c1-3-5(7(11,12)13,8(14,15)16)23-6(4-2,9(17,18)19)10(20,21)22/h3-4H,1-2H2.
What are the key properties of 4,4,4-trifluoro-3-(trifluoromethyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl]oxybut-1-ene?
4,4,4-trifluoro-3-(trifluoromethyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl]oxybut-1-ene has a molecular weight of 370.13 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(trifluoromethyl)-3-[1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl]oxybut-1-ene is sourced from PubChem (CID 57093812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).