3,5-difluoro-4-[(5R)-5-fluoro-3-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol

C14H12F6O2 — CID 118910098

IUPAC3,5-difluoro-4-[(5R)-5-fluoro-3-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol
SMILESCC1=C(OC(F)(F)F)[C@H](F)CC(C2=C(F)C=C(O)CC2F)=C1
InChIInChI=1S/C14H12F6O2/c1-6-2-7(3-11(17)13(6)22-14(18,19)20)12-9(15)4-8(21)5-10(12)16/h2,4,10-11,21H,3,5H2,1H3/t10?,11-/m1/s1
InChIKeySBXPURPVEOKEHE-RRKGBCIJSA-N
MW326.24 g/mol
LogP4.87
Rot. Bonds2

About 3,5-difluoro-4-[(5R)-5-fluoro-3-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol

3,5-difluoro-4-[(5R)-5-fluoro-3-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol (PubChem CID 118910098) has the molecular formula C14H12F6O2 and a molecular weight of 326.24 g/mol. Its IUPAC name is 3,5-difluoro-4-[(5R)-5-fluoro-3-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3,5-difluoro-4-[(5R)-5-fluoro-3-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol
PubChem CID118910098
Molecular FormulaC14H12F6O2
Molecular Weight326.24 g/mol
Exact Mass326.07
IUPAC Name3,5-difluoro-4-[(5R)-5-fluoro-3-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol
SMILESCC1=C(OC(F)(F)F)[C@H](F)CC(C2=C(F)C=C(O)CC2F)=C1
InChIInChI=1S/C14H12F6O2/c1-6-2-7(3-11(17)13(6)22-14(18,19)20)12-9(15)4-8(21)5-10(12)16/h2,4,10-11,21H,3,5H2,1H3/t10?,11-/m1/s1
InChIKeySBXPURPVEOKEHE-RRKGBCIJSA-N
XLogP4.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-difluoro-4-[(5R)-5-fluoro-3-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[(5R)-5-fluoro-3-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol?
The IUPAC name of 3,5-difluoro-4-[(5R)-5-fluoro-3-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol (CID 118910098) is 3,5-difluoro-4-[(5R)-5-fluoro-3-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3,5-difluoro-4-[(5R)-5-fluoro-3-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3,5-difluoro-4-[(5R)-5-fluoro-3-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol is CC1=C(OC(F)(F)F)[C@H](F)CC(C2=C(F)C=C(O)CC2F)=C1.
What is the InChIKey of 3,5-difluoro-4-[(5R)-5-fluoro-3-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol?
The InChIKey is SBXPURPVEOKEHE-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H12F6O2/c1-6-2-7(3-11(17)13(6)22-14(18,19)20)12-9(15)4-8(21)5-10(12)16/h2,4,10-11,21H,3,5H2,1H3/t10?,11-/m1/s1.
What are the key properties of 3,5-difluoro-4-[(5R)-5-fluoro-3-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol?
3,5-difluoro-4-[(5R)-5-fluoro-3-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol has a molecular weight of 326.24 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[(5R)-5-fluoro-3-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 118910098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).