2,2-difluoro-1-propan-2-yl-1H-acenaphthylene

C15H14F2 — CID 166533770

IUPAC2,2-difluoro-1-propan-2-yl-1H-acenaphthylene
SMILESCC(C)C1c2cccc3cccc(c23)C1(F)F
InChIInChI=1S/C15H14F2/c1-9(2)14-11-7-3-5-10-6-4-8-12(13(10)11)15(14,16)17/h3-9,14H,1-2H3
InChIKeyXRVWJAAAZFSVIM-UHFFFAOYSA-N
MW232.27 g/mol
LogP4.68
Rot. Bonds1

About 2,2-difluoro-1-propan-2-yl-1H-acenaphthylene

2,2-difluoro-1-propan-2-yl-1H-acenaphthylene (PubChem CID 166533770) has the molecular formula C15H14F2 and a molecular weight of 232.27 g/mol. Its IUPAC name is 2,2-difluoro-1-propan-2-yl-1H-acenaphthylene.

Molecular Properties

Compound Name2,2-difluoro-1-propan-2-yl-1H-acenaphthylene
PubChem CID166533770
Molecular FormulaC15H14F2
Molecular Weight232.27 g/mol
Exact Mass232.11
IUPAC Name2,2-difluoro-1-propan-2-yl-1H-acenaphthylene
SMILESCC(C)C1c2cccc3cccc(c23)C1(F)F
InChIInChI=1S/C15H14F2/c1-9(2)14-11-7-3-5-10-6-4-8-12(13(10)11)15(14,16)17/h3-9,14H,1-2H3
InChIKeyXRVWJAAAZFSVIM-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2,2-dimethyl-1H-acenaphthylene
CID 172628060
(1S)-2,2-dimethyl-1H-acenaphthylene-1-carboxylic acid
CID 125481192
2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol
CID 140915621
2-tert-butyl-1-methyl-2H-acenaphthylen-1-ol
CID 166056915
2,2-bis(2-methylphenyl)-1H-acenaphthylen-1-ol
CID 134887514
2,2-bis(methoxymethyl)-1-methyl-1H-acenaphthylene
CID 86048106
sodium (1R,2S)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate
CID 134980074
1-propan-2-yl-3-[2-(3-propan-2-yl-2,3-dihydro-1H-phenalen-1-yl)ethyl]-2,3-dihydro-1H-phenalene
CID 143021438
methyl (1R,2R)-1,2-dimethyl-2H-acenaphthylene-1-carboxylate
CID 11053773
2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene
CID 143109674
3-methyltetracyclo[7.3.1.02,4.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 86129150
3-methyl-1,2-di(propan-2-yl)-1H-phenalene
CID 174578136

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-propan-2-yl-1H-acenaphthylene?
The IUPAC name of 2,2-difluoro-1-propan-2-yl-1H-acenaphthylene (CID 166533770) is 2,2-difluoro-1-propan-2-yl-1H-acenaphthylene.
What is the SMILES notation for 2,2-difluoro-1-propan-2-yl-1H-acenaphthylene?
The canonical SMILES for 2,2-difluoro-1-propan-2-yl-1H-acenaphthylene is CC(C)C1c2cccc3cccc(c23)C1(F)F.
What is the InChIKey of 2,2-difluoro-1-propan-2-yl-1H-acenaphthylene?
The InChIKey is XRVWJAAAZFSVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2/c1-9(2)14-11-7-3-5-10-6-4-8-12(13(10)11)15(14,16)17/h3-9,14H,1-2H3.
What are the key properties of 2,2-difluoro-1-propan-2-yl-1H-acenaphthylene?
2,2-difluoro-1-propan-2-yl-1H-acenaphthylene has a molecular weight of 232.27 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-propan-2-yl-1H-acenaphthylene is sourced from PubChem (CID 166533770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).