8-fluorobenzo[e][1]benzofuran

C12H7FO — CID 101247142

IUPAC8-fluorobenzo[e][1]benzofuran
SMILESFc1ccc2ccc3occc3c2c1
InChIInChI=1S/C12H7FO/c13-9-3-1-8-2-4-12-10(5-6-14-12)11(8)7-9/h1-7H
InChIKeyBYYMXYJMMQQXCX-UHFFFAOYSA-N
MW186.18 g/mol
LogP3.73
Rot. Bonds

About 8-fluorobenzo[e][1]benzofuran

8-fluorobenzo[e][1]benzofuran (PubChem CID 101247142) has the molecular formula C12H7FO and a molecular weight of 186.18 g/mol. Its IUPAC name is 8-fluorobenzo[e][1]benzofuran.

Molecular Properties

Compound Name8-fluorobenzo[e][1]benzofuran
PubChem CID101247142
Molecular FormulaC12H7FO
Molecular Weight186.18 g/mol
Exact Mass186.05
IUPAC Name8-fluorobenzo[e][1]benzofuran
SMILESFc1ccc2ccc3occc3c2c1
InChIInChI=1S/C12H7FO/c13-9-3-1-8-2-4-12-10(5-6-14-12)11(8)7-9/h1-7H
InChIKeyBYYMXYJMMQQXCX-UHFFFAOYSA-N
XLogP3.73
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluoroisochromen-1-one
CID 139821040
benzo[e][1]benzofuran-8-ylboronic acid
CID 166059866
benzo[e][1]benzofuran;N,N-dimethylmethanamine
CID 174542666
3-(chloromethyl)-5-fluoro-1-benzofuran
CID 18184314
4-(3-fluorophenyl)-1-benzofuran
CID 10751013
[1]benzofuro[4,5-g]quinoline;hydrochloride
CID 68728891
5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran
CID 117174338
17-butyl-6-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(21),2(10),3,5(9),7,11,13,15(20),16,18-decaene
CID 89117036
5-fluoro-1-benzofuran-3-carbaldehyde
CID 25129802
5-fluoro-3-propan-2-yl-1-benzofuran
CID 23568686
4-chloro-6-fluoro-1-benzofuran
CID 130062962
6-fluoro-4-methyl-1-benzofuran
CID 66806743

Frequently Asked Questions

What is the IUPAC name of 8-fluorobenzo[e][1]benzofuran?
The IUPAC name of 8-fluorobenzo[e][1]benzofuran (CID 101247142) is 8-fluorobenzo[e][1]benzofuran.
What is the SMILES notation for 8-fluorobenzo[e][1]benzofuran?
The canonical SMILES for 8-fluorobenzo[e][1]benzofuran is Fc1ccc2ccc3occc3c2c1.
What is the InChIKey of 8-fluorobenzo[e][1]benzofuran?
The InChIKey is BYYMXYJMMQQXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FO/c13-9-3-1-8-2-4-12-10(5-6-14-12)11(8)7-9/h1-7H.
What are the key properties of 8-fluorobenzo[e][1]benzofuran?
8-fluorobenzo[e][1]benzofuran has a molecular weight of 186.18 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluorobenzo[e][1]benzofuran is sourced from PubChem (CID 101247142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).