8-fluoro-5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbonitrile

C12H10FNO2 — CID 54411870

IUPAC8-fluoro-5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbonitrile
SMILESCOc1ccc(F)c2c1CCC(=O)C2C#N
InChIInChI=1S/C12H10FNO2/c1-16-11-5-3-9(13)12-7(11)2-4-10(15)8(12)6-14/h3,5,8H,2,4H2,1H3
InChIKeyVURZNRZEFDHNNQ-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.96
Rot. Bonds1

About 8-fluoro-5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbonitrile

8-fluoro-5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbonitrile (PubChem CID 54411870) has the molecular formula C12H10FNO2 and a molecular weight of 219.21 g/mol. Its IUPAC name is 8-fluoro-5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbonitrile.

Molecular Properties

Compound Name8-fluoro-5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbonitrile
PubChem CID54411870
Molecular FormulaC12H10FNO2
Molecular Weight219.21 g/mol
Exact Mass219.07
IUPAC Name8-fluoro-5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbonitrile
SMILESCOc1ccc(F)c2c1CCC(=O)C2C#N
InChIInChI=1S/C12H10FNO2/c1-16-11-5-3-9(13)12-7(11)2-4-10(15)8(12)6-14/h3,5,8H,2,4H2,1H3
InChIKeyVURZNRZEFDHNNQ-UHFFFAOYSA-N
XLogP1.96
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-4-methoxy-2,3-dihydroinden-1-one
CID 53486405
4-fluoro-7-methoxy-2,3-dihydro-1H-indene
CID 23208941
1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride
CID 3048231
5-fluoro-8-methoxy-3-methyl-1H-isothiochromen-4-one
CID 82888216
5-bromo-8-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one
CID 121010058
7-fluoro-2-[(2-fluorophenyl)methyl]-4-methoxy-3-oxo-1H-isoindole-1-carbonitrile
CID 110448612
2-(1,1-dioxothiolan-3-yl)-7-fluoro-4-methoxy-3-oxo-1H-isoindole-1-carbonitrile
CID 110448617
6-fluoro-9-methoxy-3-methyl-3,4-dihydro-1H-2-benzothiepin-5-one
CID 82886195
4-methoxy-7-methyl-2,3-dihydroinden-1-one
CID 600490
7-iodo-4-methoxy-2,3-dihydroinden-1-one
CID 12969786
8-methoxy-3-oxo-2,4-dihydro-1H-naphthalene-2-carbonitrile
CID 121009834
6,9-dimethoxy-4,5-dihydro-2-benzoxepine-1,3-dione
CID 82159209

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbonitrile?
The IUPAC name of 8-fluoro-5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbonitrile (CID 54411870) is 8-fluoro-5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbonitrile.
What is the SMILES notation for 8-fluoro-5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbonitrile?
The canonical SMILES for 8-fluoro-5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbonitrile is COc1ccc(F)c2c1CCC(=O)C2C#N.
What is the InChIKey of 8-fluoro-5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbonitrile?
The InChIKey is VURZNRZEFDHNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-16-11-5-3-9(13)12-7(11)2-4-10(15)8(12)6-14/h3,5,8H,2,4H2,1H3.
What are the key properties of 8-fluoro-5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbonitrile?
8-fluoro-5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbonitrile has a molecular weight of 219.21 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbonitrile is sourced from PubChem (CID 54411870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).