2,2,2-trifluoro-1-[6-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol

C10H10F6O — CID 138701941

IUPAC2,2,2-trifluoro-1-[6-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol
SMILESCC1C(C(F)(F)F)=CC=CC1C(O)C(F)(F)F
InChIInChI=1S/C10H10F6O/c1-5-6(8(17)10(14,15)16)3-2-4-7(5)9(11,12)13/h2-6,8,17H,1H3
InChIKeyISIWLWDGGCXKQQ-UHFFFAOYSA-N
MW260.18 g/mol
LogP3.22
Rot. Bonds1

About 2,2,2-trifluoro-1-[6-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol

2,2,2-trifluoro-1-[6-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol (PubChem CID 138701941) has the molecular formula C10H10F6O and a molecular weight of 260.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[6-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[6-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol
PubChem CID138701941
Molecular FormulaC10H10F6O
Molecular Weight260.18 g/mol
Exact Mass260.06
IUPAC Name2,2,2-trifluoro-1-[6-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol
SMILESCC1C(C(F)(F)F)=CC=CC1C(O)C(F)(F)F
InChIInChI=1S/C10H10F6O/c1-5-6(8(17)10(14,15)16)3-2-4-7(5)9(11,12)13/h2-6,8,17H,1H3
InChIKeyISIWLWDGGCXKQQ-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[6-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[6-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol (CID 138701941) is 2,2,2-trifluoro-1-[6-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[6-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[6-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol is CC1C(C(F)(F)F)=CC=CC1C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[6-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol?
The InChIKey is ISIWLWDGGCXKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6O/c1-5-6(8(17)10(14,15)16)3-2-4-7(5)9(11,12)13/h2-6,8,17H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[6-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol?
2,2,2-trifluoro-1-[6-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol has a molecular weight of 260.18 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[6-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol is sourced from PubChem (CID 138701941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).