naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone

C17H7F5O — CID 146007709

IUPACnaphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
SMILESO=C(c1c(F)c(F)c(F)c(F)c1F)c1cccc2ccccc12
InChIInChI=1S/C17H7F5O/c18-12-11(13(19)15(21)16(22)14(12)20)17(23)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyXBYYWUHNXHWSDU-UHFFFAOYSA-N
MW322.23 g/mol
LogP4.77
Rot. Bonds2

About naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone

naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone (PubChem CID 146007709) has the molecular formula C17H7F5O and a molecular weight of 322.23 g/mol. Its IUPAC name is naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
PubChem CID146007709
Molecular FormulaC17H7F5O
Molecular Weight322.23 g/mol
Exact Mass322.04
IUPAC Namenaphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
SMILESO=C(c1c(F)c(F)c(F)c(F)c1F)c1cccc2ccccc12
InChIInChI=1S/C17H7F5O/c18-12-11(13(19)15(21)16(22)14(12)20)17(23)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyXBYYWUHNXHWSDU-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

naphthalene-1-carbonyl iodide
CID 87393513
naphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151492
2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone
CID 91636167
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
(3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107949988
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
CID 129133768
CID 129133768
sodium naphthalene-1-carbothioate
CID 134872711
2,2-dibromo-2-fluoro-1-naphthalen-1-ylethanone
CID 175439147
magnesium;hydride;naphthalene-1-carboperoxoic acid
CID 175368397
methane;naphthalen-1-yl(phenyl)methanone;sulfuric acid
CID 70453659

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone?
The IUPAC name of naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone (CID 146007709) is naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone.
What is the SMILES notation for naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone?
The canonical SMILES for naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone is O=C(c1c(F)c(F)c(F)c(F)c1F)c1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone?
The InChIKey is XBYYWUHNXHWSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7F5O/c18-12-11(13(19)15(21)16(22)14(12)20)17(23)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H.
What are the key properties of naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone?
naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone has a molecular weight of 322.23 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone is sourced from PubChem (CID 146007709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).