(3R)-3-naphthalen-2-yl-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane

C20H21F3O — CID 166442986

IUPAC(3R)-3-naphthalen-2-yl-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane
SMILESFC(F)(F)C[C@@]1(c2ccc3ccccc3c2)CC2(CCCC2)CO1
InChIInChI=1S/C20H21F3O/c21-20(22,23)13-19(12-18(14-24-19)9-3-4-10-18)17-8-7-15-5-1-2-6-16(15)11-17/h1-2,5-8,11H,3-4,9-10,12-14H2/t19-/m1/s1
InChIKeyIPYSDEXTHOOTNI-LJQANCHMSA-N
MW334.38 g/mol
LogP5.97
Rot. Bonds2

About (3R)-3-naphthalen-2-yl-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane

(3R)-3-naphthalen-2-yl-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane (PubChem CID 166442986) has the molecular formula C20H21F3O and a molecular weight of 334.38 g/mol. Its IUPAC name is (3R)-3-naphthalen-2-yl-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane.

Molecular Properties

Compound Name(3R)-3-naphthalen-2-yl-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane
PubChem CID166442986
Molecular FormulaC20H21F3O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name(3R)-3-naphthalen-2-yl-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane
SMILESFC(F)(F)C[C@@]1(c2ccc3ccccc3c2)CC2(CCCC2)CO1
InChIInChI=1S/C20H21F3O/c21-20(22,23)13-19(12-18(14-24-19)9-3-4-10-18)17-8-7-15-5-1-2-6-16(15)11-17/h1-2,5-8,11H,3-4,9-10,12-14H2/t19-/m1/s1
InChIKeyIPYSDEXTHOOTNI-LJQANCHMSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.38
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R)-3-naphthalen-2-yl-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane 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

1,4-Epoxyanthracene, 1,4-dihydro-
CID 312131
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
3,4-Bis[(4-fluorophenyl)selanyl]-2-naphthalen-2-yl-2,5-dihydrofuran
CID 154711892
2-(Trifluoromethoxymethyl)naphthalene
CID 23627160
2-Naphthyl diethyl ether
CID 11333131
9-(2,2,2-Trifluoro-1-methoxyethyl)anthracene
CID 613508
(2S,5S)-2-methyl-2-phenyl-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]oxolane
CID 45277706
5,6-diphenyl-4-(trifluoromethyl)spiro[1H-2-benzofuran-3,1'-cyclohexane]
CID 46187652
6-Fluoro-4-(4-fluorophenyl)-1,3-dihydrobenzo[f][2]benzofuran
CID 56931621
10-Methyl-9-(1-methoxy-2,2,2-trifluor-ethyl) anthracene
CID 85416858
2-(Methoxy(4-(trifluoromethyl)phenyl)methyl)naphthalene
CID 124081654

Frequently Asked Questions

What is the IUPAC name of (3R)-3-naphthalen-2-yl-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane?
The IUPAC name of (3R)-3-naphthalen-2-yl-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane (CID 166442986) is (3R)-3-naphthalen-2-yl-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane.
What is the SMILES notation for (3R)-3-naphthalen-2-yl-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane?
The canonical SMILES for (3R)-3-naphthalen-2-yl-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane is FC(F)(F)C[C@@]1(c2ccc3ccccc3c2)CC2(CCCC2)CO1.
What is the InChIKey of (3R)-3-naphthalen-2-yl-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane?
The InChIKey is IPYSDEXTHOOTNI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21F3O/c21-20(22,23)13-19(12-18(14-24-19)9-3-4-10-18)17-8-7-15-5-1-2-6-16(15)11-17/h1-2,5-8,11H,3-4,9-10,12-14H2/t19-/m1/s1.
What are the key properties of (3R)-3-naphthalen-2-yl-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane?
(3R)-3-naphthalen-2-yl-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane has a molecular weight of 334.38 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-naphthalen-2-yl-3-(2,2,2-trifluoroethyl)-2-oxaspiro[4.4]nonane is sourced from PubChem (CID 166442986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).