2,2-dimethyl-5,5-bis(trifluoromethyl)furan

C8H8F6O — CID 23405391

IUPAC2,2-dimethyl-5,5-bis(trifluoromethyl)furan
SMILESCC1(C)C=CC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C8H8F6O/c1-5(2)3-4-6(15-5,7(9,10)11)8(12,13)14/h3-4H,1-2H3
InChIKeyMOWQPNIWEJLGOS-UHFFFAOYSA-N
MW234.14 g/mol
LogP3.21
Rot. Bonds

About 2,2-dimethyl-5,5-bis(trifluoromethyl)furan

2,2-dimethyl-5,5-bis(trifluoromethyl)furan (PubChem CID 23405391) has the molecular formula C8H8F6O and a molecular weight of 234.14 g/mol. Its IUPAC name is 2,2-dimethyl-5,5-bis(trifluoromethyl)furan.

Molecular Properties

Compound Name2,2-dimethyl-5,5-bis(trifluoromethyl)furan
PubChem CID23405391
Molecular FormulaC8H8F6O
Molecular Weight234.14 g/mol
Exact Mass234.05
IUPAC Name2,2-dimethyl-5,5-bis(trifluoromethyl)furan
SMILESCC1(C)C=CC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C8H8F6O/c1-5(2)3-4-6(15-5,7(9,10)11)8(12,13)14/h3-4H,1-2H3
InChIKeyMOWQPNIWEJLGOS-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,5S)-2,5-bis(difluoromethyl)-2,5-difluorofuran
CID 21732056
2,2-Difluoro-5,5-dimethylfuran
CID 23405384
2,2-Dimethyl-5,5-bis(1,1,2,2,2-pentafluoroethyl)furan
CID 23405387
(Z)-1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-4-methylpent-2-ene
CID 57917023
(Z)-1,1,2-trifluoro-1-[(Z)-1,1,2-trifluoropent-2-enoxy]pent-2-ene
CID 88481339
(E)-4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3-hexafluorobutoxy)pent-2-ene
CID 90262440
(Z)-1,1,1-trifluoro-2-methyl-2-(trifluoromethoxy)hex-3-ene
CID 132225963
(Z)-2-methyl-2-(trifluoromethoxy)hex-3-ene
CID 132225967
1,1,4,6,6,6-Hexafluoro-4-(1,1,1,3,6,6-hexafluorohex-4-en-3-yloxy)hex-2-ene
CID 141454660
1,1,1,4,5,5,5-Heptafluoro-4-(1,1,1,2,5,5,5-heptafluoropent-3-en-2-yloxy)pent-2-ene
CID 141454663
5,5,5-Trifluoro-4-(trifluoromethyl)-4-[1,1,1-trifluoro-2-(trifluoromethyl)pent-3-en-2-yl]oxypent-2-ene
CID 141520386
2,2-Difluoro-5,5-bis(trifluoromethyl)furan
CID 145856359

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5,5-bis(trifluoromethyl)furan?
The IUPAC name of 2,2-dimethyl-5,5-bis(trifluoromethyl)furan (CID 23405391) is 2,2-dimethyl-5,5-bis(trifluoromethyl)furan.
What is the SMILES notation for 2,2-dimethyl-5,5-bis(trifluoromethyl)furan?
The canonical SMILES for 2,2-dimethyl-5,5-bis(trifluoromethyl)furan is CC1(C)C=CC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 2,2-dimethyl-5,5-bis(trifluoromethyl)furan?
The InChIKey is MOWQPNIWEJLGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O/c1-5(2)3-4-6(15-5,7(9,10)11)8(12,13)14/h3-4H,1-2H3.
What are the key properties of 2,2-dimethyl-5,5-bis(trifluoromethyl)furan?
2,2-dimethyl-5,5-bis(trifluoromethyl)furan has a molecular weight of 234.14 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5,5-bis(trifluoromethyl)furan is sourced from PubChem (CID 23405391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).