(2S,3S)-4-methylidene-2-naphthalen-2-yl-2,3-bis(trifluoromethyl)oxolane

C17H12F6O — CID 145453130

IUPAC(2S,3S)-4-methylidene-2-naphthalen-2-yl-2,3-bis(trifluoromethyl)oxolane
SMILESC=C1CO[C@@](c2ccc3ccccc3c2)(C(F)(F)F)[C@H]1C(F)(F)F
InChIInChI=1S/C17H12F6O/c1-10-9-24-15(17(21,22)23,14(10)16(18,19)20)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14H,1,9H2/t14-,15+/m0/s1
InChIKeyXBOHEXGQQPOCNX-LSDHHAIUSA-N
MW346.27 g/mol
LogP5.36
Rot. Bonds1

About (2S,3S)-4-methylidene-2-naphthalen-2-yl-2,3-bis(trifluoromethyl)oxolane

(2S,3S)-4-methylidene-2-naphthalen-2-yl-2,3-bis(trifluoromethyl)oxolane (PubChem CID 145453130) has the molecular formula C17H12F6O and a molecular weight of 346.27 g/mol. Its IUPAC name is (2S,3S)-4-methylidene-2-naphthalen-2-yl-2,3-bis(trifluoromethyl)oxolane.

Molecular Properties

Compound Name(2S,3S)-4-methylidene-2-naphthalen-2-yl-2,3-bis(trifluoromethyl)oxolane
PubChem CID145453130
Molecular FormulaC17H12F6O
Molecular Weight346.27 g/mol
Exact Mass346.08
IUPAC Name(2S,3S)-4-methylidene-2-naphthalen-2-yl-2,3-bis(trifluoromethyl)oxolane
SMILESC=C1CO[C@@](c2ccc3ccccc3c2)(C(F)(F)F)[C@H]1C(F)(F)F
InChIInChI=1S/C17H12F6O/c1-10-9-24-15(17(21,22)23,14(10)16(18,19)20)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14H,1,9H2/t14-,15+/m0/s1
InChIKeyXBOHEXGQQPOCNX-LSDHHAIUSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.27
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Naphthalen-2-yl)oxirane
CID 30333
2-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-biphenyl
CID 18546500
1a,9a-Dihydrophenanthro(1,2-b)oxirene
CID 148323
1a,9c-Dihydrophenanthro(3,4-b)oxirene
CID 148324
Pyrene-1,2-oxide
CID 9543286
2,2-Bis(4-fluorophenyl)tetrahydrofuran
CID 96739
2-Naphthalen-1-yloxetane
CID 18412934
1,4-Epoxyanthracene, 1,4-dihydro-
CID 312131
2-(4-Fluorophenyl)tetrahydro-2-phenylfuran
CID 3019788
2-[(Chloromethoxy)methyl]naphthalene (ca. 2mol/L in Toluene)
CID 101409515
2-(3,3-Difluoro-1-methoxypropyl)naphthalene
CID 132514348
(12R,15S)-2,2,3,3,8,8,9,9-octafluoro-19-oxapentacyclo[8.6.2.24,7.112,15.011,16]henicosa-1(16),4,6,10,13,17,20-heptaene
CID 10884261

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-methylidene-2-naphthalen-2-yl-2,3-bis(trifluoromethyl)oxolane?
The IUPAC name of (2S,3S)-4-methylidene-2-naphthalen-2-yl-2,3-bis(trifluoromethyl)oxolane (CID 145453130) is (2S,3S)-4-methylidene-2-naphthalen-2-yl-2,3-bis(trifluoromethyl)oxolane.
What is the SMILES notation for (2S,3S)-4-methylidene-2-naphthalen-2-yl-2,3-bis(trifluoromethyl)oxolane?
The canonical SMILES for (2S,3S)-4-methylidene-2-naphthalen-2-yl-2,3-bis(trifluoromethyl)oxolane is C=C1CO[C@@](c2ccc3ccccc3c2)(C(F)(F)F)[C@H]1C(F)(F)F.
What is the InChIKey of (2S,3S)-4-methylidene-2-naphthalen-2-yl-2,3-bis(trifluoromethyl)oxolane?
The InChIKey is XBOHEXGQQPOCNX-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H12F6O/c1-10-9-24-15(17(21,22)23,14(10)16(18,19)20)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,14H,1,9H2/t14-,15+/m0/s1.
What are the key properties of (2S,3S)-4-methylidene-2-naphthalen-2-yl-2,3-bis(trifluoromethyl)oxolane?
(2S,3S)-4-methylidene-2-naphthalen-2-yl-2,3-bis(trifluoromethyl)oxolane has a molecular weight of 346.27 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-methylidene-2-naphthalen-2-yl-2,3-bis(trifluoromethyl)oxolane is sourced from PubChem (CID 145453130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).