4-fluoro-5,7-di(propan-2-yl)-1-benzofuran

C14H17FO — CID 176877276

IUPAC4-fluoro-5,7-di(propan-2-yl)-1-benzofuran
SMILESCC(C)c1cc(C(C)C)c2occc2c1F
InChIInChI=1S/C14H17FO/c1-8(2)11-7-12(9(3)4)14-10(13(11)15)5-6-16-14/h5-9H,1-4H3
InChIKeyKQWCKKHRSODPAB-UHFFFAOYSA-N
MW220.29 g/mol
LogP4.82
Rot. Bonds2

About 4-fluoro-5,7-di(propan-2-yl)-1-benzofuran

4-fluoro-5,7-di(propan-2-yl)-1-benzofuran (PubChem CID 176877276) has the molecular formula C14H17FO and a molecular weight of 220.29 g/mol. Its IUPAC name is 4-fluoro-5,7-di(propan-2-yl)-1-benzofuran.

Molecular Properties

Compound Name4-fluoro-5,7-di(propan-2-yl)-1-benzofuran
PubChem CID176877276
Molecular FormulaC14H17FO
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name4-fluoro-5,7-di(propan-2-yl)-1-benzofuran
SMILESCC(C)c1cc(C(C)C)c2occc2c1F
InChIInChI=1S/C14H17FO/c1-8(2)11-7-12(9(3)4)14-10(13(11)15)5-6-16-14/h5-9H,1-4H3
InChIKeyKQWCKKHRSODPAB-UHFFFAOYSA-N
XLogP4.82
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,7-di(propan-2-yl)-1-benzofuran-4-amine
CID 176877209
N,N-dimethyl-5,7-di(propan-2-yl)-1-benzofuran-4-amine
CID 176877286
5,7-di(propan-2-yl)-4-propan-2-yloxy-1-benzofuran
CID 176877241
ethane;7-methyl-4-propan-2-yl-1-benzofuran
CID 145358952
5,7-di(propan-2-yl)-1-benzofuran
CID 58779354
1-(4,5,6-trifluoro-1-benzofuran-7-yl)propan-2-amine
CID 22144847
7-propan-2-yl-1-benzofuran-4-sulfonic acid
CID 156647963
6,7-difluoro-4-methyl-1-benzofuran
CID 66806732
5,7-dimethyl-4-propan-2-yl-1-benzofuran;ethane
CID 156725009
7-methyl-4-phenyl-6-propan-2-yl-1-benzofuran
CID 138519726
2-(5,7-difluoro-1-benzofuran-4-yl)propan-1-amine
CID 117301032
3-(5,7-difluoro-1-benzofuran-4-yl)butan-1-amine
CID 117322960

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5,7-di(propan-2-yl)-1-benzofuran?
The IUPAC name of 4-fluoro-5,7-di(propan-2-yl)-1-benzofuran (CID 176877276) is 4-fluoro-5,7-di(propan-2-yl)-1-benzofuran.
What is the SMILES notation for 4-fluoro-5,7-di(propan-2-yl)-1-benzofuran?
The canonical SMILES for 4-fluoro-5,7-di(propan-2-yl)-1-benzofuran is CC(C)c1cc(C(C)C)c2occc2c1F.
What is the InChIKey of 4-fluoro-5,7-di(propan-2-yl)-1-benzofuran?
The InChIKey is KQWCKKHRSODPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO/c1-8(2)11-7-12(9(3)4)14-10(13(11)15)5-6-16-14/h5-9H,1-4H3.
What are the key properties of 4-fluoro-5,7-di(propan-2-yl)-1-benzofuran?
4-fluoro-5,7-di(propan-2-yl)-1-benzofuran has a molecular weight of 220.29 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5,7-di(propan-2-yl)-1-benzofuran is sourced from PubChem (CID 176877276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).