2,2-dimethyl-5,5-bis(1,1,2,2,2-pentafluoroethyl)furan

C10H8F10O — CID 23405387

IUPAC2,2-dimethyl-5,5-bis(1,1,2,2,2-pentafluoroethyl)furan
SMILESCC1(C)C=CC(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C10H8F10O/c1-5(2)3-4-6(21-5,7(11,12)9(15,16)17)8(13,14)10(18,19)20/h3-4H,1-2H3
InChIKeyAHWOJFDPEDYHDM-UHFFFAOYSA-N
MW334.15 g/mol
LogP4.49
Rot. Bonds2

About 2,2-dimethyl-5,5-bis(1,1,2,2,2-pentafluoroethyl)furan

2,2-dimethyl-5,5-bis(1,1,2,2,2-pentafluoroethyl)furan (PubChem CID 23405387) has the molecular formula C10H8F10O and a molecular weight of 334.15 g/mol. Its IUPAC name is 2,2-dimethyl-5,5-bis(1,1,2,2,2-pentafluoroethyl)furan.

Molecular Properties

Compound Name2,2-dimethyl-5,5-bis(1,1,2,2,2-pentafluoroethyl)furan
PubChem CID23405387
Molecular FormulaC10H8F10O
Molecular Weight334.15 g/mol
Exact Mass334.04
IUPAC Name2,2-dimethyl-5,5-bis(1,1,2,2,2-pentafluoroethyl)furan
SMILESCC1(C)C=CC(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C10H8F10O/c1-5(2)3-4-6(21-5,7(11,12)9(15,16)17)8(13,14)10(18,19)20/h3-4H,1-2H3
InChIKeyAHWOJFDPEDYHDM-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-Diethyl-2,3,5,6-tetrakis(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene
CID 15740484
4,4-Difluoro-3,5-dimethoxy-3,5-bis(trifluoromethyl)cyclopentene
CID 21062448
2,2-Difluoro-5,5-dimethylfuran
CID 23405384
2,2-Dimethyl-5,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan
CID 23405388
2,2-Dimethyl-5,5-bis(trifluoromethyl)furan
CID 23405391
5,5,5-Trifluoro-4-(trifluoromethyl)-4-[1,1,1-trifluoro-2-(trifluoromethyl)pent-3-en-2-yl]oxypent-2-ene
CID 141520386
2,2,5,5-Tetrakis(1,1,2,2,2-pentafluoroethyl)furan
CID 145856366
3,3,4,4,5-Pentafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxycyclopentene
CID 155670558
1,1,1,2-Tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)oct-3-ene
CID 2776684
1,1,1,2-Tetrafluoro-2-(heptafluoropropoxy)oct-3-ene
CID 5708713
1,2,3,3,4,4,5-Heptafluoro-5-[(2-methylpropan-2-yl)oxy]cyclopentene
CID 10539651
(E,2R)-1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)oct-3-ene
CID 97290876

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5,5-bis(1,1,2,2,2-pentafluoroethyl)furan?
The IUPAC name of 2,2-dimethyl-5,5-bis(1,1,2,2,2-pentafluoroethyl)furan (CID 23405387) is 2,2-dimethyl-5,5-bis(1,1,2,2,2-pentafluoroethyl)furan.
What is the SMILES notation for 2,2-dimethyl-5,5-bis(1,1,2,2,2-pentafluoroethyl)furan?
The canonical SMILES for 2,2-dimethyl-5,5-bis(1,1,2,2,2-pentafluoroethyl)furan is CC1(C)C=CC(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 2,2-dimethyl-5,5-bis(1,1,2,2,2-pentafluoroethyl)furan?
The InChIKey is AHWOJFDPEDYHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F10O/c1-5(2)3-4-6(21-5,7(11,12)9(15,16)17)8(13,14)10(18,19)20/h3-4H,1-2H3.
What are the key properties of 2,2-dimethyl-5,5-bis(1,1,2,2,2-pentafluoroethyl)furan?
2,2-dimethyl-5,5-bis(1,1,2,2,2-pentafluoroethyl)furan has a molecular weight of 334.15 g/mol, XLogP of 4.49, 2 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(1,1,2,2,2-pentafluoroethyl)furan is sourced from PubChem (CID 23405387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).