2,2-bis(trifluoromethyl)-3H-furan

C6H4F6O — CID 59259642

IUPAC2,2-bis(trifluoromethyl)-3H-furan
SMILESFC(F)(F)C1(C(F)(F)F)CC=CO1
InChIInChI=1S/C6H4F6O/c7-5(8,9)4(6(10,11)12)2-1-3-13-4/h1,3H,2H2
InChIKeyVBFQKIKUVNFAMJ-UHFFFAOYSA-N
MW206.09 g/mol
LogP2.78
Rot. Bonds

About 2,2-bis(trifluoromethyl)-3H-furan

2,2-bis(trifluoromethyl)-3H-furan (PubChem CID 59259642) has the molecular formula C6H4F6O and a molecular weight of 206.09 g/mol. Its IUPAC name is 2,2-bis(trifluoromethyl)-3H-furan.

Molecular Properties

Compound Name2,2-bis(trifluoromethyl)-3H-furan
PubChem CID59259642
Molecular FormulaC6H4F6O
Molecular Weight206.09 g/mol
Exact Mass206.02
IUPAC Name2,2-bis(trifluoromethyl)-3H-furan
SMILESFC(F)(F)C1(C(F)(F)F)CC=CO1
InChIInChI=1S/C6H4F6O/c7-5(8,9)4(6(10,11)12)2-1-3-13-4/h1,3H,2H2
InChIKeyVBFQKIKUVNFAMJ-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.09
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(trifluoromethyl)-3H-furan?
The IUPAC name of 2,2-bis(trifluoromethyl)-3H-furan (CID 59259642) is 2,2-bis(trifluoromethyl)-3H-furan.
What is the SMILES notation for 2,2-bis(trifluoromethyl)-3H-furan?
The canonical SMILES for 2,2-bis(trifluoromethyl)-3H-furan is FC(F)(F)C1(C(F)(F)F)CC=CO1.
What is the InChIKey of 2,2-bis(trifluoromethyl)-3H-furan?
The InChIKey is VBFQKIKUVNFAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6O/c7-5(8,9)4(6(10,11)12)2-1-3-13-4/h1,3H,2H2.
What are the key properties of 2,2-bis(trifluoromethyl)-3H-furan?
2,2-bis(trifluoromethyl)-3H-furan has a molecular weight of 206.09 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(trifluoromethyl)-3H-furan is sourced from PubChem (CID 59259642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).