1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(2-phenylethoxy)phenyl]propan-2-ol

C18H16F6O2 — CID 11588935

IUPAC1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(2-phenylethoxy)phenyl]propan-2-ol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCc1ccccc1
InChIInChI=1S/C18H16F6O2/c1-12-11-14(16(25,17(19,20)21)18(22,23)24)7-8-15(12)26-10-9-13-5-3-2-4-6-13/h2-8,11,25H,9-10H2,1H3
InChIKeyRBJCHWUWTRHGGB-UHFFFAOYSA-N
MW378.31 g/mol
LogP4.93
Rot. Bonds5

About 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(2-phenylethoxy)phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(2-phenylethoxy)phenyl]propan-2-ol (PubChem CID 11588935) has the molecular formula C18H16F6O2 and a molecular weight of 378.31 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(2-phenylethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(2-phenylethoxy)phenyl]propan-2-ol
PubChem CID11588935
Molecular FormulaC18H16F6O2
Molecular Weight378.31 g/mol
Exact Mass378.11
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(2-phenylethoxy)phenyl]propan-2-ol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCc1ccccc1
InChIInChI=1S/C18H16F6O2/c1-12-11-14(16(25,17(19,20)21)18(22,23)24)7-8-15(12)26-10-9-13-5-3-2-4-6-13/h2-8,11,25H,9-10H2,1H3
InChIKeyRBJCHWUWTRHGGB-UHFFFAOYSA-N
XLogP4.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(2-phenylethoxy)phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(2-phenylethoxy)phenyl]propan-2-ol (CID 11588935) is 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(2-phenylethoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(2-phenylethoxy)phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(2-phenylethoxy)phenyl]propan-2-ol is Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCc1ccccc1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(2-phenylethoxy)phenyl]propan-2-ol?
The InChIKey is RBJCHWUWTRHGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6O2/c1-12-11-14(16(25,17(19,20)21)18(22,23)24)7-8-15(12)26-10-9-13-5-3-2-4-6-13/h2-8,11,25H,9-10H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(2-phenylethoxy)phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(2-phenylethoxy)phenyl]propan-2-ol has a molecular weight of 378.31 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-(2-phenylethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 11588935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).