8-fluoro-6-iodo-3,4-dihydro-1H-naphthalen-2-one

C10H8FIO — CID 131320491

IUPAC8-fluoro-6-iodo-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cc(I)cc(F)c2C1
InChIInChI=1S/C10H8FIO/c11-10-4-7(12)3-6-1-2-8(13)5-9(6)10/h3-4H,1-2,5H2
InChIKeyPRWDSEYPPVOHBK-UHFFFAOYSA-N
MW290.07 g/mol
LogP2.49
Rot. Bonds

About 8-fluoro-6-iodo-3,4-dihydro-1H-naphthalen-2-one

8-fluoro-6-iodo-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 131320491) has the molecular formula C10H8FIO and a molecular weight of 290.07 g/mol. Its IUPAC name is 8-fluoro-6-iodo-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name8-fluoro-6-iodo-3,4-dihydro-1H-naphthalen-2-one
PubChem CID131320491
Molecular FormulaC10H8FIO
Molecular Weight290.07 g/mol
Exact Mass289.96
IUPAC Name8-fluoro-6-iodo-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cc(I)cc(F)c2C1
InChIInChI=1S/C10H8FIO/c11-10-4-7(12)3-6-1-2-8(13)5-9(6)10/h3-4H,1-2,5H2
InChIKeyPRWDSEYPPVOHBK-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.07
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
CID 19699282
2,3-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
CID 170903437
8-chloro-7-iodo-3,4-dihydro-1H-naphthalen-2-one
CID 131312486
1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79785399
8-bromo-5-fluoro-3,4-dihydro-1H-naphthalen-2-one
CID 131343889
5,6-difluoro-1,3-dihydroinden-2-one
CID 53408037
6-fluoro-5-hydroxy-3,4-dihydro-1H-naphthalen-2-one
CID 131343881
8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one
CID 65333661
7-chloro-3,4-dihydro-1H-naphthalen-2-one
CID 4065216
1-[(2,6-difluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 114935100
4-(aminomethyl)-1-(2,6-difluoro-4-iodophenyl)pyrrolidin-2-one
CID 168660507
6-chloro-7-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-one
CID 158261161

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-iodo-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 8-fluoro-6-iodo-3,4-dihydro-1H-naphthalen-2-one (CID 131320491) is 8-fluoro-6-iodo-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 8-fluoro-6-iodo-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 8-fluoro-6-iodo-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2cc(I)cc(F)c2C1.
What is the InChIKey of 8-fluoro-6-iodo-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is PRWDSEYPPVOHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FIO/c11-10-4-7(12)3-6-1-2-8(13)5-9(6)10/h3-4H,1-2,5H2.
What are the key properties of 8-fluoro-6-iodo-3,4-dihydro-1H-naphthalen-2-one?
8-fluoro-6-iodo-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 290.07 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-iodo-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 131320491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).