4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-methylcyclohexa-2,4-dien-1-ol

C10H10F6O2 — CID 88746518

IUPAC4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(O)C=CC(C(O)(C(F)(F)F)C(F)(F)F)=CC1
InChIInChI=1S/C10H10F6O2/c1-7(17)4-2-6(3-5-7)8(18,9(11,12)13)10(14,15)16/h2-4,17-18H,5H2,1H3
InChIKeyYLNWZVDGUMTGRZ-UHFFFAOYSA-N
MW276.18 g/mol
LogP2.48
Rot. Bonds1

About 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-methylcyclohexa-2,4-dien-1-ol

4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-methylcyclohexa-2,4-dien-1-ol (PubChem CID 88746518) has the molecular formula C10H10F6O2 and a molecular weight of 276.18 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-methylcyclohexa-2,4-dien-1-ol
PubChem CID88746518
Molecular FormulaC10H10F6O2
Molecular Weight276.18 g/mol
Exact Mass276.06
IUPAC Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(O)C=CC(C(O)(C(F)(F)F)C(F)(F)F)=CC1
InChIInChI=1S/C10H10F6O2/c1-7(17)4-2-6(3-5-7)8(18,9(11,12)13)10(14,15)16/h2-4,17-18H,5H2,1H3
InChIKeyYLNWZVDGUMTGRZ-UHFFFAOYSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-methylcyclohexa-2,4-dien-1-ol (CID 88746518) is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-methylcyclohexa-2,4-dien-1-ol is CC1(O)C=CC(C(O)(C(F)(F)F)C(F)(F)F)=CC1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is YLNWZVDGUMTGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6O2/c1-7(17)4-2-6(3-5-7)8(18,9(11,12)13)10(14,15)16/h2-4,17-18H,5H2,1H3.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-methylcyclohexa-2,4-dien-1-ol?
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 276.18 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 88746518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).