2,2,2-trifluoro-1-(4-methylcyclohexa-1,5-dien-1-yl)ethanol

C9H11F3O — CID 89189494

IUPAC2,2,2-trifluoro-1-(4-methylcyclohexa-1,5-dien-1-yl)ethanol
SMILESCC1C=CC(C(O)C(F)(F)F)=CC1
InChIInChI=1S/C9H11F3O/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2,4-6,8,13H,3H2,1H3
InChIKeySWBOVKAQZZYCHO-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.43
Rot. Bonds1

About 2,2,2-trifluoro-1-(4-methylcyclohexa-1,5-dien-1-yl)ethanol

2,2,2-trifluoro-1-(4-methylcyclohexa-1,5-dien-1-yl)ethanol (PubChem CID 89189494) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methylcyclohexa-1,5-dien-1-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methylcyclohexa-1,5-dien-1-yl)ethanol
PubChem CID89189494
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name2,2,2-trifluoro-1-(4-methylcyclohexa-1,5-dien-1-yl)ethanol
SMILESCC1C=CC(C(O)C(F)(F)F)=CC1
InChIInChI=1S/C9H11F3O/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2,4-6,8,13H,3H2,1H3
InChIKeySWBOVKAQZZYCHO-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.43
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-(4-methylcyclohexa-1,5-dien-1-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-methylcyclohexa-1,5-dien-1-yl)ethanol (CID 89189494) is 2,2,2-trifluoro-1-(4-methylcyclohexa-1,5-dien-1-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methylcyclohexa-1,5-dien-1-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methylcyclohexa-1,5-dien-1-yl)ethanol is CC1C=CC(C(O)C(F)(F)F)=CC1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methylcyclohexa-1,5-dien-1-yl)ethanol?
The InChIKey is SWBOVKAQZZYCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2,4-6,8,13H,3H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methylcyclohexa-1,5-dien-1-yl)ethanol?
2,2,2-trifluoro-1-(4-methylcyclohexa-1,5-dien-1-yl)ethanol has a molecular weight of 192.18 g/mol, XLogP of 2.43, 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-(4-methylcyclohexa-1,5-dien-1-yl)ethanol is sourced from PubChem (CID 89189494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).