2-fluoro-8-[[4-(trifluoromethyl)phenyl]methyl]dibenzofuran

C20H12F4O — CID 90910281

IUPAC2-fluoro-8-[[4-(trifluoromethyl)phenyl]methyl]dibenzofuran
SMILESFc1ccc2oc3ccc(Cc4ccc(C(F)(F)F)cc4)cc3c2c1
InChIInChI=1S/C20H12F4O/c21-15-6-8-19-17(11-15)16-10-13(3-7-18(16)25-19)9-12-1-4-14(5-2-12)20(22,23)24/h1-8,10-11H,9H2
InChIKeySGKUUYIOHQRWIT-UHFFFAOYSA-N
MW344.31 g/mol
LogP6.33
Rot. Bonds2

About 2-fluoro-8-[[4-(trifluoromethyl)phenyl]methyl]dibenzofuran

2-fluoro-8-[[4-(trifluoromethyl)phenyl]methyl]dibenzofuran (PubChem CID 90910281) has the molecular formula C20H12F4O and a molecular weight of 344.31 g/mol. Its IUPAC name is 2-fluoro-8-[[4-(trifluoromethyl)phenyl]methyl]dibenzofuran.

Molecular Properties

Compound Name2-fluoro-8-[[4-(trifluoromethyl)phenyl]methyl]dibenzofuran
PubChem CID90910281
Molecular FormulaC20H12F4O
Molecular Weight344.31 g/mol
Exact Mass344.08
IUPAC Name2-fluoro-8-[[4-(trifluoromethyl)phenyl]methyl]dibenzofuran
SMILESFc1ccc2oc3ccc(Cc4ccc(C(F)(F)F)cc4)cc3c2c1
InChIInChI=1S/C20H12F4O/c21-15-6-8-19-17(11-15)16-10-13(3-7-18(16)25-19)9-12-1-4-14(5-2-12)20(22,23)24/h1-8,10-11H,9H2
InChIKeySGKUUYIOHQRWIT-UHFFFAOYSA-N
XLogP6.33
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.31
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-[[4-(trifluoromethyl)phenyl]methyl]dibenzofuran?
The IUPAC name of 2-fluoro-8-[[4-(trifluoromethyl)phenyl]methyl]dibenzofuran (CID 90910281) is 2-fluoro-8-[[4-(trifluoromethyl)phenyl]methyl]dibenzofuran.
What is the SMILES notation for 2-fluoro-8-[[4-(trifluoromethyl)phenyl]methyl]dibenzofuran?
The canonical SMILES for 2-fluoro-8-[[4-(trifluoromethyl)phenyl]methyl]dibenzofuran is Fc1ccc2oc3ccc(Cc4ccc(C(F)(F)F)cc4)cc3c2c1.
What is the InChIKey of 2-fluoro-8-[[4-(trifluoromethyl)phenyl]methyl]dibenzofuran?
The InChIKey is SGKUUYIOHQRWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4O/c21-15-6-8-19-17(11-15)16-10-13(3-7-18(16)25-19)9-12-1-4-14(5-2-12)20(22,23)24/h1-8,10-11H,9H2.
What are the key properties of 2-fluoro-8-[[4-(trifluoromethyl)phenyl]methyl]dibenzofuran?
2-fluoro-8-[[4-(trifluoromethyl)phenyl]methyl]dibenzofuran has a molecular weight of 344.31 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-[[4-(trifluoromethyl)phenyl]methyl]dibenzofuran is sourced from PubChem (CID 90910281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).