1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxynaphthalene

C17H16F6O — CID 118217383

IUPAC1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxynaphthalene
SMILESCC(C)(C)C(Oc1cccc2ccccc12)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H16F6O/c1-14(2,3)15(16(18,19)20,17(21,22)23)24-13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,1-3H3
InChIKeyCFFYAXFTTVVORV-UHFFFAOYSA-N
MW350.30 g/mol
LogP6.13
Rot. Bonds2

About 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxynaphthalene

1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxynaphthalene (PubChem CID 118217383) has the molecular formula C17H16F6O and a molecular weight of 350.30 g/mol. Its IUPAC name is 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxynaphthalene.

Molecular Properties

Compound Name1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxynaphthalene
PubChem CID118217383
Molecular FormulaC17H16F6O
Molecular Weight350.30 g/mol
Exact Mass350.11
IUPAC Name1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxynaphthalene
SMILESCC(C)(C)C(Oc1cccc2ccccc12)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H16F6O/c1-14(2,3)15(16(18,19)20,17(21,22)23)24-13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,1-3H3
InChIKeyCFFYAXFTTVVORV-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.30
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxynaphthalene?
The IUPAC name of 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxynaphthalene (CID 118217383) is 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxynaphthalene.
What is the SMILES notation for 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxynaphthalene?
The canonical SMILES for 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxynaphthalene is CC(C)(C)C(Oc1cccc2ccccc12)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxynaphthalene?
The InChIKey is CFFYAXFTTVVORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F6O/c1-14(2,3)15(16(18,19)20,17(21,22)23)24-13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,1-3H3.
What are the key properties of 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxynaphthalene?
1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxynaphthalene has a molecular weight of 350.30 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl]oxynaphthalene is sourced from PubChem (CID 118217383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).