[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)phenyl]methanol

C11H7F9O2 — CID 88565476

IUPAC[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(OC(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C11H7F9O2/c12-9(13,14)7-3-6(2-1-5(7)4-21)22-8(10(15,16)17)11(18,19)20/h1-3,8,21H,4H2
InChIKeyHITMIEZUVLWRSQ-UHFFFAOYSA-N
MW342.16 g/mol
LogP4.07
Rot. Bonds3

About [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)phenyl]methanol

[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)phenyl]methanol (PubChem CID 88565476) has the molecular formula C11H7F9O2 and a molecular weight of 342.16 g/mol. Its IUPAC name is [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)phenyl]methanol
PubChem CID88565476
Molecular FormulaC11H7F9O2
Molecular Weight342.16 g/mol
Exact Mass342.03
IUPAC Name[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(OC(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C11H7F9O2/c12-9(13,14)7-3-6(2-1-5(7)4-21)22-8(10(15,16)17)11(18,19)20/h1-3,8,21H,4H2
InChIKeyHITMIEZUVLWRSQ-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)phenyl]methanol (CID 88565476) is [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)phenyl]methanol is OCc1ccc(OC(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is HITMIEZUVLWRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F9O2/c12-9(13,14)7-3-6(2-1-5(7)4-21)22-8(10(15,16)17)11(18,19)20/h1-3,8,21H,4H2.
What are the key properties of [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)phenyl]methanol?
[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)phenyl]methanol has a molecular weight of 342.16 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 88565476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).