(3S,4R)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]

C14H15F3O — CID 132915639

IUPAC(3S,4R)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]
SMILESFC(F)(F)[C@H]1CCc2ccccc2[C@@]12CCCO2
InChIInChI=1S/C14H15F3O/c15-14(16,17)12-7-6-10-4-1-2-5-11(10)13(12)8-3-9-18-13/h1-2,4-5,12H,3,6-9H2/t12-,13-/m0/s1
InChIKeyMGCSFXMQFRKPKR-STQMWFEESA-N
MW256.27 g/mol
LogP3.82
Rot. Bonds

About (3S,4R)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]

(3S,4R)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane] (PubChem CID 132915639) has the molecular formula C14H15F3O and a molecular weight of 256.27 g/mol. Its IUPAC name is (3S,4R)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane].

Molecular Properties

Compound Name(3S,4R)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]
PubChem CID132915639
Molecular FormulaC14H15F3O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name(3S,4R)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]
SMILESFC(F)(F)[C@H]1CCc2ccccc2[C@@]12CCCO2
InChIInChI=1S/C14H15F3O/c15-14(16,17)12-7-6-10-4-1-2-5-11(10)13(12)8-3-9-18-13/h1-2,4-5,12H,3,6-9H2/t12-,13-/m0/s1
InChIKeyMGCSFXMQFRKPKR-STQMWFEESA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S,4R)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane] with MolForge

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Related Compounds

phenyl(spiro[3,4-dihydro-2H-naphthalene-1,2'-oxolane]-2-yl)methanone
CID 102024747
(3S,4R)-2'-(trichloromethyl)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 134954191
1-benzylsulfonyl-2-(trifluoromethyl)spiro[2H-indole-3,2'-oxolane]
CID 176891896
spiro[1,2-dihydroindene-3,2'-oxetane]
CID 84618292
N,N-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-4a-amine
CID 15657719
spiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-ol
CID 115010714
(1S,4aS,10aR)-4a-methyl-1-(trifluoromethyl)-2,3,4,9,10,10a-hexahydrophenanthren-1-ol
CID 11822169
1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 79899726
1-(1-oxaspiro[5.5]undecan-4-yl)-2,3-dihydroinden-1-amine
CID 79907765
(2S)-N-[(1R)-1-(trifluoromethyl)-2,3-dihydroinden-1-yl]oxolane-2-carboxamide
CID 124885171
cyclohexanamine;spiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 145339125
spiro[cyclohexane-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ol
CID 71263398

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]?
The IUPAC name of (3S,4R)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane] (CID 132915639) is (3S,4R)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane].
What is the SMILES notation for (3S,4R)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]?
The canonical SMILES for (3S,4R)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane] is FC(F)(F)[C@H]1CCc2ccccc2[C@@]12CCCO2.
What is the InChIKey of (3S,4R)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]?
The InChIKey is MGCSFXMQFRKPKR-STQMWFEESA-N. The full InChI is InChI=1S/C14H15F3O/c15-14(16,17)12-7-6-10-4-1-2-5-11(10)13(12)8-3-9-18-13/h1-2,4-5,12H,3,6-9H2/t12-,13-/m0/s1.
What are the key properties of (3S,4R)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane]?
(3S,4R)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane] has a molecular weight of 256.27 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane] is sourced from PubChem (CID 132915639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).