2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one

C15H9F7O2 — CID 146007268

IUPAC2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one
SMILESCOc1ccc2ccccc2c1C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H9F7O2/c1-24-10-7-6-8-4-2-3-5-9(8)11(10)12(23)13(16,17)14(18,19)15(20,21)22/h2-7H,1H3
InChIKeyFRXIINFIVXJBJK-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.86
Rot. Bonds4

About 2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one

2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one (PubChem CID 146007268) has the molecular formula C15H9F7O2 and a molecular weight of 354.22 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one
PubChem CID146007268
Molecular FormulaC15H9F7O2
Molecular Weight354.22 g/mol
Exact Mass354.05
IUPAC Name2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one
SMILESCOc1ccc2ccccc2c1C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H9F7O2/c1-24-10-7-6-8-4-2-3-5-9(8)11(10)12(23)13(16,17)14(18,19)15(20,21)22/h2-7H,1H3
InChIKeyFRXIINFIVXJBJK-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-2,2-difluoro-1-(2-methoxynaphthalen-1-yl)ethanone
CID 146007256
2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
2-methoxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279235
[amino-(2-methoxynaphthalen-1-yl)methylidene]azanium
CID 6347163
2-methoxy-1-(trifluoromethoxy)naphthalene
CID 149345741
4-chloro-1-(2-methoxynaphthalen-1-yl)butan-1-one
CID 82051001
1-(2-methoxynaphthalen-1-yl)-2-propylpentan-1-one
CID 146007288
methyl (E)-4-(2-methoxynaphthalen-1-yl)-4-oxobut-2-enoate
CID 82550402
5-bromo-1-(2-methoxynaphthalen-1-yl)pentan-1-one
CID 146007275
(3-amino-4-methoxyphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 91678600
2,2,2-trifluoro-N-[2-(2-methoxynaphthalen-1-yl)ethyl]acetamide
CID 11779359
methyl 2-(2,2,3,3,4,4,4-heptafluorobutanoyl)benzoate
CID 146010980

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one (CID 146007268) is 2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one is COc1ccc2ccccc2c1C(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one?
The InChIKey is FRXIINFIVXJBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F7O2/c1-24-10-7-6-8-4-2-3-5-9(8)11(10)12(23)13(16,17)14(18,19)15(20,21)22/h2-7H,1H3.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one?
2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one has a molecular weight of 354.22 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-1-(2-methoxynaphthalen-1-yl)butan-1-one is sourced from PubChem (CID 146007268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).