1,1,3,3-tetrafluoro-4,7-bis(trifluoromethyl)-2-benzofuran

C10H2F10O — CID 23235172

IUPAC1,1,3,3-tetrafluoro-4,7-bis(trifluoromethyl)-2-benzofuran
SMILESFC(F)(F)c1ccc(C(F)(F)F)c2c1C(F)(F)OC2(F)F
InChIInChI=1S/C10H2F10O/c11-7(12,13)3-1-2-4(8(14,15)16)6-5(3)9(17,18)21-10(6,19)20/h1-2H
InChIKeyNLLPBSHPLZOPFT-UHFFFAOYSA-N
MW328.11 g/mol
LogP4.85
Rot. Bonds

About 1,1,3,3-tetrafluoro-4,7-bis(trifluoromethyl)-2-benzofuran

1,1,3,3-tetrafluoro-4,7-bis(trifluoromethyl)-2-benzofuran (PubChem CID 23235172) has the molecular formula C10H2F10O and a molecular weight of 328.11 g/mol. Its IUPAC name is 1,1,3,3-tetrafluoro-4,7-bis(trifluoromethyl)-2-benzofuran.

Molecular Properties

Compound Name1,1,3,3-tetrafluoro-4,7-bis(trifluoromethyl)-2-benzofuran
PubChem CID23235172
Molecular FormulaC10H2F10O
Molecular Weight328.11 g/mol
Exact Mass327.99
IUPAC Name1,1,3,3-tetrafluoro-4,7-bis(trifluoromethyl)-2-benzofuran
SMILESFC(F)(F)c1ccc(C(F)(F)F)c2c1C(F)(F)OC2(F)F
InChIInChI=1S/C10H2F10O/c11-7(12,13)3-1-2-4(8(14,15)16)6-5(3)9(17,18)21-10(6,19)20/h1-2H
InChIKeyNLLPBSHPLZOPFT-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrafluoro-4,7-bis(trifluoromethyl)-2-benzofuran?
The IUPAC name of 1,1,3,3-tetrafluoro-4,7-bis(trifluoromethyl)-2-benzofuran (CID 23235172) is 1,1,3,3-tetrafluoro-4,7-bis(trifluoromethyl)-2-benzofuran.
What is the SMILES notation for 1,1,3,3-tetrafluoro-4,7-bis(trifluoromethyl)-2-benzofuran?
The canonical SMILES for 1,1,3,3-tetrafluoro-4,7-bis(trifluoromethyl)-2-benzofuran is FC(F)(F)c1ccc(C(F)(F)F)c2c1C(F)(F)OC2(F)F.
What is the InChIKey of 1,1,3,3-tetrafluoro-4,7-bis(trifluoromethyl)-2-benzofuran?
The InChIKey is NLLPBSHPLZOPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F10O/c11-7(12,13)3-1-2-4(8(14,15)16)6-5(3)9(17,18)21-10(6,19)20/h1-2H.
What are the key properties of 1,1,3,3-tetrafluoro-4,7-bis(trifluoromethyl)-2-benzofuran?
1,1,3,3-tetrafluoro-4,7-bis(trifluoromethyl)-2-benzofuran has a molecular weight of 328.11 g/mol, XLogP of 4.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrafluoro-4,7-bis(trifluoromethyl)-2-benzofuran is sourced from PubChem (CID 23235172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).