1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-4-phenylbenzene

C16H9F9O — CID 59927340

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-4-phenylbenzene
SMILESFC(F)(F)C(Oc1ccc(-c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H9F9O/c17-14(18,19)13(15(20,21)22,16(23,24)25)26-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyHSUFTLMBQYBJGM-UHFFFAOYSA-N
MW388.23 g/mol
LogP6.16
Rot. Bonds3

About 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-4-phenylbenzene

1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-4-phenylbenzene (PubChem CID 59927340) has the molecular formula C16H9F9O and a molecular weight of 388.23 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-4-phenylbenzene.

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-4-phenylbenzene
PubChem CID59927340
Molecular FormulaC16H9F9O
Molecular Weight388.23 g/mol
Exact Mass388.05
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-4-phenylbenzene
SMILESFC(F)(F)C(Oc1ccc(-c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H9F9O/c17-14(18,19)13(15(20,21)22,16(23,24)25)26-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyHSUFTLMBQYBJGM-UHFFFAOYSA-N
XLogP6.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.23
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-4-phenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-4-phenylbenzene?
The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-4-phenylbenzene (CID 59927340) is 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-4-phenylbenzene.
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-4-phenylbenzene?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-4-phenylbenzene is FC(F)(F)C(Oc1ccc(-c2ccccc2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-4-phenylbenzene?
The InChIKey is HSUFTLMBQYBJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F9O/c17-14(18,19)13(15(20,21)22,16(23,24)25)26-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-4-phenylbenzene?
1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-4-phenylbenzene has a molecular weight of 388.23 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-4-phenylbenzene is sourced from PubChem (CID 59927340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).