1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol

C9H11F3O2 — CID 163893644

IUPAC1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol
SMILESCC(O)C1C=CC(OC(F)(F)F)=CC1
InChIInChI=1S/C9H11F3O2/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2,4-7,13H,3H2,1H3
InChIKeyQDSGOJMDDRUHNQ-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.36
Rot. Bonds2

About 1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol

1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol (PubChem CID 163893644) has the molecular formula C9H11F3O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol
PubChem CID163893644
Molecular FormulaC9H11F3O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol
SMILESCC(O)C1C=CC(OC(F)(F)F)=CC1
InChIInChI=1S/C9H11F3O2/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2,4-7,13H,3H2,1H3
InChIKeyQDSGOJMDDRUHNQ-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol?
The IUPAC name of 1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol (CID 163893644) is 1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol.
What is the SMILES notation for 1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol?
The canonical SMILES for 1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol is CC(O)C1C=CC(OC(F)(F)F)=CC1.
What is the InChIKey of 1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol?
The InChIKey is QDSGOJMDDRUHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O2/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2,4-7,13H,3H2,1H3.
What are the key properties of 1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol?
1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol has a molecular weight of 208.18 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol is sourced from PubChem (CID 163893644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).