1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one

C14H13FO2 — CID 114733174

IUPAC1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one
SMILESO=C(CCc1cc2cccc(F)c2o1)C1CC1
InChIInChI=1S/C14H13FO2/c15-12-3-1-2-10-8-11(17-14(10)12)6-7-13(16)9-4-5-9/h1-3,8-9H,4-7H2
InChIKeyXMBLUTIHWFTKNK-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.48
Rot. Bonds4

About 1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one

1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one (PubChem CID 114733174) has the molecular formula C14H13FO2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one
PubChem CID114733174
Molecular FormulaC14H13FO2
Molecular Weight232.25 g/mol
Exact Mass232.09
IUPAC Name1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one
SMILESO=C(CCc1cc2cccc(F)c2o1)C1CC1
InChIInChI=1S/C14H13FO2/c15-12-3-1-2-10-8-11(17-14(10)12)6-7-13(16)9-4-5-9/h1-3,8-9H,4-7H2
InChIKeyXMBLUTIHWFTKNK-UHFFFAOYSA-N
XLogP3.48
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(2,6-difluorophenyl)propan-1-one
CID 64506189
2-(7-fluoro-1-benzofuran-2-yl)ethyl formate
CID 91524112
1-cyclopropyl-3-(2-fluorophenyl)propan-1-one
CID 63351757
(7-fluoro-1-benzofuran-2-yl)methanethiol
CID 117182886
[4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737005
2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde
CID 114732770
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 105132886
1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 65440139
7-fluoro-2-prop-2-enyl-1-benzofuran
CID 114735883
2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 115809805
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one
CID 63351882

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one?
The IUPAC name of 1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one (CID 114733174) is 1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one?
The canonical SMILES for 1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one is O=C(CCc1cc2cccc(F)c2o1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one?
The InChIKey is XMBLUTIHWFTKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2/c15-12-3-1-2-10-8-11(17-14(10)12)6-7-13(16)9-4-5-9/h1-3,8-9H,4-7H2.
What are the key properties of 1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one?
1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one has a molecular weight of 232.25 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one is sourced from PubChem (CID 114733174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).