2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone

C12H7ClF2O — CID 91636167

IUPAC2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone
SMILESO=C(c1cccc2ccccc12)C(F)(F)Cl
InChIInChI=1S/C12H7ClF2O/c13-12(14,15)11(16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyAXAMACIQJRTVJN-UHFFFAOYSA-N
MW240.64 g/mol
LogP3.85
Rot. Bonds2

About 2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone

2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone (PubChem CID 91636167) has the molecular formula C12H7ClF2O and a molecular weight of 240.64 g/mol. Its IUPAC name is 2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone.

Molecular Properties

Compound Name2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone
PubChem CID91636167
Molecular FormulaC12H7ClF2O
Molecular Weight240.64 g/mol
Exact Mass240.02
IUPAC Name2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone
SMILESO=C(c1cccc2ccccc12)C(F)(F)Cl
InChIInChI=1S/C12H7ClF2O/c13-12(14,15)11(16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyAXAMACIQJRTVJN-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dibromo-2-fluoro-1-naphthalen-1-ylethanone
CID 175439147
naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
CID 146007709
2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone
CID 146007256
(E)-4,4,4-trifluoro-1-naphthalen-1-ylbut-2-en-1-one
CID 101484406
(E)-1,1,1-trifluoro-4-hydroxy-4-naphthalen-1-ylbut-3-en-2-one
CID 67502188
naphthalene-1-carbonyl iodide
CID 87393513
1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
2,2,2-trifluoro-1-naphthalen-1-ylethanethione
CID 23496318
[naphthalene-1-carbonyloxy-[1,1,3-trifluoro-3-(naphthalene-1-carbonyl)-4-naphthalen-1-yl-2,4-dioxobutyl]boranyl] naphthalene-1-carboxylate
CID 18320974
sodium naphthalene-1-carbothioate
CID 134872711
CID 129133768
CID 129133768

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone?
The IUPAC name of 2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone (CID 91636167) is 2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone.
What is the SMILES notation for 2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone?
The canonical SMILES for 2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone is O=C(c1cccc2ccccc12)C(F)(F)Cl.
What is the InChIKey of 2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone?
The InChIKey is AXAMACIQJRTVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2O/c13-12(14,15)11(16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H.
What are the key properties of 2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone?
2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone has a molecular weight of 240.64 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoro-1-naphthalen-1-ylethanone is sourced from PubChem (CID 91636167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).