[(2R,5R)-3,3,4,4-tetrafluoro-5-naphthalen-1-yloxolan-2-yl]methyl acetate

C17H14F4O3 — CID 46189613

IUPAC[(2R,5R)-3,3,4,4-tetrafluoro-5-naphthalen-1-yloxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](c2cccc3ccccc23)C(F)(F)C1(F)F
InChIInChI=1S/C17H14F4O3/c1-10(22)23-9-14-16(18,19)17(20,21)15(24-14)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14-15H,9H2,1H3/t14-,15-/m1/s1
InChIKeyRWFQSGHSMBAJGY-HUUCEWRRSA-N
MW342.29 g/mol
LogP4.11
Rot. Bonds3

About [(2R,5R)-3,3,4,4-tetrafluoro-5-naphthalen-1-yloxolan-2-yl]methyl acetate

[(2R,5R)-3,3,4,4-tetrafluoro-5-naphthalen-1-yloxolan-2-yl]methyl acetate (PubChem CID 46189613) has the molecular formula C17H14F4O3 and a molecular weight of 342.29 g/mol. Its IUPAC name is [(2R,5R)-3,3,4,4-tetrafluoro-5-naphthalen-1-yloxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,5R)-3,3,4,4-tetrafluoro-5-naphthalen-1-yloxolan-2-yl]methyl acetate
PubChem CID46189613
Molecular FormulaC17H14F4O3
Molecular Weight342.29 g/mol
Exact Mass342.09
IUPAC Name[(2R,5R)-3,3,4,4-tetrafluoro-5-naphthalen-1-yloxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](c2cccc3ccccc23)C(F)(F)C1(F)F
InChIInChI=1S/C17H14F4O3/c1-10(22)23-9-14-16(18,19)17(20,21)15(24-14)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14-15H,9H2,1H3/t14-,15-/m1/s1
InChIKeyRWFQSGHSMBAJGY-HUUCEWRRSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-naphthalen-1-yloxirane
CID 116864134
2-naphthalen-1-yloxyethyl acetate
CID 23049663
ethyl acetate;phenanthrene
CID 160726264
2,3,3-trimethylbutan-2-yl 2-methyl-3-naphthalen-1-yloxirane-2-carboxylate
CID 122399857
anthracen-9-ylmethyl acetate
CID 27876
cis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate
CID 11184053
[(2S,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-naphthalen-1-yloxyoxan-2-yl]methyl acetate
CID 40815640
[(1R,13R,14S,15R)-14-acetyloxy-16-oxa-12-azatetracyclo[11.3.1.02,11.05,10]heptadeca-2(11),3,5,7,9-pentaen-15-yl]methyl acetate
CID 101333904
2-naphthalen-1-ylethyl acetate
CID 592920
[(2R,5R)-4-benzoyl-2-naphthalen-1-yl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 139037161
1-[(2R,6R)-2-naphthalen-1-yl-3,6-dihydro-2H-pyran-6-yl]propan-2-one
CID 102335454
1-[(1S)-2-naphthalen-1-yl-1-nitrocyclopropyl]ethanone
CID 102350204

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-3,3,4,4-tetrafluoro-5-naphthalen-1-yloxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,5R)-3,3,4,4-tetrafluoro-5-naphthalen-1-yloxolan-2-yl]methyl acetate (CID 46189613) is [(2R,5R)-3,3,4,4-tetrafluoro-5-naphthalen-1-yloxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,5R)-3,3,4,4-tetrafluoro-5-naphthalen-1-yloxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,5R)-3,3,4,4-tetrafluoro-5-naphthalen-1-yloxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@H](c2cccc3ccccc23)C(F)(F)C1(F)F.
What is the InChIKey of [(2R,5R)-3,3,4,4-tetrafluoro-5-naphthalen-1-yloxolan-2-yl]methyl acetate?
The InChIKey is RWFQSGHSMBAJGY-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H14F4O3/c1-10(22)23-9-14-16(18,19)17(20,21)15(24-14)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14-15H,9H2,1H3/t14-,15-/m1/s1.
What are the key properties of [(2R,5R)-3,3,4,4-tetrafluoro-5-naphthalen-1-yloxolan-2-yl]methyl acetate?
[(2R,5R)-3,3,4,4-tetrafluoro-5-naphthalen-1-yloxolan-2-yl]methyl acetate has a molecular weight of 342.29 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-3,3,4,4-tetrafluoro-5-naphthalen-1-yloxolan-2-yl]methyl acetate is sourced from PubChem (CID 46189613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).