1-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroethanol

C10H13F3O3 — CID 150594369

IUPAC1-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroethanol
SMILESCOC1C=CC=CC1(OC)C(O)C(F)(F)F
InChIInChI=1S/C10H13F3O3/c1-15-7-5-3-4-6-9(7,16-2)8(14)10(11,12)13/h3-8,14H,1-2H3
InChIKeyIQNVUPIKNFWJKL-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.44
Rot. Bonds3

About 1-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroethanol

1-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroethanol (PubChem CID 150594369) has the molecular formula C10H13F3O3 and a molecular weight of 238.21 g/mol. Its IUPAC name is 1-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroethanol
PubChem CID150594369
Molecular FormulaC10H13F3O3
Molecular Weight238.21 g/mol
Exact Mass238.08
IUPAC Name1-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroethanol
SMILESCOC1C=CC=CC1(OC)C(O)C(F)(F)F
InChIInChI=1S/C10H13F3O3/c1-15-7-5-3-4-6-9(7,16-2)8(14)10(11,12)13/h3-8,14H,1-2H3
InChIKeyIQNVUPIKNFWJKL-UHFFFAOYSA-N
XLogP1.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroethanol 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 1-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroethanol (CID 150594369) is 1-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroethanol is COC1C=CC=CC1(OC)C(O)C(F)(F)F.
What is the InChIKey of 1-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroethanol?
The InChIKey is IQNVUPIKNFWJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O3/c1-15-7-5-3-4-6-9(7,16-2)8(14)10(11,12)13/h3-8,14H,1-2H3.
What are the key properties of 1-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroethanol?
1-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroethanol has a molecular weight of 238.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 150594369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).