1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-phenylmethoxyphenyl)propan-2-ol

C17H14F6O2 — CID 11689109

IUPAC1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-phenylmethoxyphenyl)propan-2-ol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C17H14F6O2/c1-11-9-13(15(24,16(18,19)20)17(21,22)23)7-8-14(11)25-10-12-5-3-2-4-6-12/h2-9,24H,10H2,1H3
InChIKeyOZAZWOKIQRIGBH-UHFFFAOYSA-N
MW364.29 g/mol
LogP4.89
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-phenylmethoxyphenyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-phenylmethoxyphenyl)propan-2-ol (PubChem CID 11689109) has the molecular formula C17H14F6O2 and a molecular weight of 364.29 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-phenylmethoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-phenylmethoxyphenyl)propan-2-ol
PubChem CID11689109
Molecular FormulaC17H14F6O2
Molecular Weight364.29 g/mol
Exact Mass364.09
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-phenylmethoxyphenyl)propan-2-ol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C17H14F6O2/c1-11-9-13(15(24,16(18,19)20)17(21,22)23)7-8-14(11)25-10-12-5-3-2-4-6-12/h2-9,24H,10H2,1H3
InChIKeyOZAZWOKIQRIGBH-UHFFFAOYSA-N
XLogP4.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 54.89
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-phenylmethoxyphenyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-phenylmethoxyphenyl)propan-2-ol (CID 11689109) is 1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-phenylmethoxyphenyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-phenylmethoxyphenyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-phenylmethoxyphenyl)propan-2-ol is Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCc1ccccc1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-phenylmethoxyphenyl)propan-2-ol?
The InChIKey is OZAZWOKIQRIGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6O2/c1-11-9-13(15(24,16(18,19)20)17(21,22)23)7-8-14(11)25-10-12-5-3-2-4-6-12/h2-9,24H,10H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-phenylmethoxyphenyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(3-methyl-4-phenylmethoxyphenyl)propan-2-ol has a molecular weight of 364.29 g/mol, XLogP of 4.89, 4 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-phenylmethoxyphenyl)propan-2-ol is sourced from PubChem (CID 11689109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).