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

C10H10F6O — CID 154548376

IUPAC1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol
SMILESCC1=CC=C(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C10H10F6O/c1-6-2-4-7(5-3-6)8(17,9(11,12)13)10(14,15)16/h2,4,17H,3,5H2,1H3
InChIKeyQXHFMYZOJFYASY-UHFFFAOYSA-N
MW260.18 g/mol
LogP3.51
Rot. Bonds1

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

1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol (PubChem CID 154548376) has the molecular formula C10H10F6O and a molecular weight of 260.18 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol
PubChem CID154548376
Molecular FormulaC10H10F6O
Molecular Weight260.18 g/mol
Exact Mass260.06
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol
SMILESCC1=CC=C(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C10H10F6O/c1-6-2-4-7(5-3-6)8(17,9(11,12)13)10(14,15)16/h2,4,17H,3,5H2,1H3
InChIKeyQXHFMYZOJFYASY-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

p-Mentha-1,3-dien-8-ol
CID 6428796
1,3-Dimethylcyclohex-2-en-1-ol
CID 13133170
1,1,1,3,3,3-Hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]propan-2-ol
CID 23528228
1,1,1,3,3,3-Hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]propan-2-ol
CID 23528230
1,1,1,7,7,7-Hexafluoro-2-methyl-4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)hept-3-ene-2,6-diol
CID 58743474
1,1,1,3,3,3-hexafluoro-2-[(6R)-6-methyl-4-(5-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]propan-2-ol
CID 89062357
2-Propyl-1-(trifluoromethyl)cyclohept-2-en-1-ol
CID 123298693
1,1,1-Trifluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol
CID 123308603
2-[4-(5,5-Dimethylhexan-3-yl)cyclohexa-1,3-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 123588636
1-Cyclohexa-1,3-dien-1-yl-2,2,2-trifluoro-1-(4-fluorocyclohexen-1-yl)ethanol
CID 123627516
(6Z,8Z)-5,6-dimethyl-7-(trifluoromethyl)deca-6,8-dien-5-ol
CID 126725696
2-[5-Ethenyl-3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,3-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 138722722

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol (CID 154548376) is 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol is CC1=CC=C(C(O)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol?
The InChIKey is QXHFMYZOJFYASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6O/c1-6-2-4-7(5-3-6)8(17,9(11,12)13)10(14,15)16/h2,4,17H,3,5H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol has a molecular weight of 260.18 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol is sourced from PubChem (CID 154548376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).