7-fluoroisochromen-1-one

C9H5FO2 — CID 139821040

IUPAC7-fluoroisochromen-1-one
SMILESO=c1occc2ccc(F)cc12
InChIInChI=1S/C9H5FO2/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H
InChIKeyIUIQJQFARWQQAK-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.93
Rot. Bonds

About 7-fluoroisochromen-1-one

7-fluoroisochromen-1-one (PubChem CID 139821040) has the molecular formula C9H5FO2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 7-fluoroisochromen-1-one.

Molecular Properties

Compound Name7-fluoroisochromen-1-one
PubChem CID139821040
Molecular FormulaC9H5FO2
Molecular Weight164.13 g/mol
Exact Mass164.03
IUPAC Name7-fluoroisochromen-1-one
SMILESO=c1occc2ccc(F)cc12
InChIInChI=1S/C9H5FO2/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H
InChIKeyIUIQJQFARWQQAK-UHFFFAOYSA-N
XLogP1.93
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluorobenzo[e][1]benzofuran
CID 101247142
7-ethenylisochromen-1-one
CID 178177184
ethane;7-ethenylisochromen-1-one
CID 178177183
[1,3]dioxolo[4,5-g]isochromen-5-one
CID 15120993
6-fluoro-2-phenyl-3,1-benzoxazin-4-one
CID 10014554
1-ethyl-7-fluoronaphthalene
CID 166534047
6-fluoro-1-prop-2-enyl-2-benzofuran
CID 118049771
2,9-difluorobenzo[b]xanthen-12-one
CID 135167571
7-fluoroisoquinoline-1-carboxamide
CID 82573928
6-(1,3-dioxolan-2-ylmethyl)isochromen-1-one
CID 77230659
4-fluoro-11-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione
CID 54456647
2-chloro-7-fluoronaphthalen-1-ol
CID 175899189

Frequently Asked Questions

What is the IUPAC name of 7-fluoroisochromen-1-one?
The IUPAC name of 7-fluoroisochromen-1-one (CID 139821040) is 7-fluoroisochromen-1-one.
What is the SMILES notation for 7-fluoroisochromen-1-one?
The canonical SMILES for 7-fluoroisochromen-1-one is O=c1occc2ccc(F)cc12.
What is the InChIKey of 7-fluoroisochromen-1-one?
The InChIKey is IUIQJQFARWQQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FO2/c10-7-2-1-6-3-4-12-9(11)8(6)5-7/h1-5H.
What are the key properties of 7-fluoroisochromen-1-one?
7-fluoroisochromen-1-one has a molecular weight of 164.13 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoroisochromen-1-one is sourced from PubChem (CID 139821040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).