cyclohexa-2,4-dien-1-ol;1,1,1-trifluoroethane

C8H11F3O — CID 139242861

IUPACcyclohexa-2,4-dien-1-ol;1,1,1-trifluoroethane
SMILESCC(F)(F)F.OC1C=CC=CC1
InChIInChI=1S/C6H8O.C2H3F3/c7-6-4-2-1-3-5-6;1-2(3,4)5/h1-4,6-7H,5H2;1H3
InChIKeyNILFLGFEYCOEPI-UHFFFAOYSA-N
MW180.17 g/mol
LogP2.43
Rot. Bonds

About cyclohexa-2,4-dien-1-ol;1,1,1-trifluoroethane

cyclohexa-2,4-dien-1-ol;1,1,1-trifluoroethane (PubChem CID 139242861) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-ol;1,1,1-trifluoroethane.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-ol;1,1,1-trifluoroethane
PubChem CID139242861
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Namecyclohexa-2,4-dien-1-ol;1,1,1-trifluoroethane
SMILESCC(F)(F)F.OC1C=CC=CC1
InChIInChI=1S/C6H8O.C2H3F3/c7-6-4-2-1-3-5-6;1-2(3,4)5/h1-4,6-7H,5H2;1H3
InChIKeyNILFLGFEYCOEPI-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 15313333
3-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 78143303
6-Fluorocyclohexa-2,4-dien-1-ol
CID 134894964
4-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 139242862
5-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 139242863
4,4,5-Trifluoro-6-methylhepta-1,5-dien-3-ol
CID 12082274
(1S)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 71662886
1,1-Difluorohex-2-ene-1,5-diol
CID 90736325
2-(Trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 139242864
(1S)-cyclohexa-2,4-dien-1-ol
CID 12024285
Cyclohexa-2,4-dien-1-ol
CID 12611534
3,4-Dihydrophenyl ethanol
CID 20320943

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-ol;1,1,1-trifluoroethane?
The IUPAC name of cyclohexa-2,4-dien-1-ol;1,1,1-trifluoroethane (CID 139242861) is cyclohexa-2,4-dien-1-ol;1,1,1-trifluoroethane.
What is the SMILES notation for cyclohexa-2,4-dien-1-ol;1,1,1-trifluoroethane?
The canonical SMILES for cyclohexa-2,4-dien-1-ol;1,1,1-trifluoroethane is CC(F)(F)F.OC1C=CC=CC1.
What is the InChIKey of cyclohexa-2,4-dien-1-ol;1,1,1-trifluoroethane?
The InChIKey is NILFLGFEYCOEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.C2H3F3/c7-6-4-2-1-3-5-6;1-2(3,4)5/h1-4,6-7H,5H2;1H3.
What are the key properties of cyclohexa-2,4-dien-1-ol;1,1,1-trifluoroethane?
cyclohexa-2,4-dien-1-ol;1,1,1-trifluoroethane has a molecular weight of 180.17 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-ol;1,1,1-trifluoroethane is sourced from PubChem (CID 139242861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).