[2-ethoxy-4-(ethoxymethyl)-3,4,5-trifluorocyclohexa-1,5-dien-1-yl]methanol

C12H17F3O3 — CID 88515660

IUPAC[2-ethoxy-4-(ethoxymethyl)-3,4,5-trifluorocyclohexa-1,5-dien-1-yl]methanol
SMILESCCOCC1(F)C(F)=CC(CO)=C(OCC)C1F
InChIInChI=1S/C12H17F3O3/c1-3-17-7-12(15)9(13)5-8(6-16)10(11(12)14)18-4-2/h5,11,16H,3-4,6-7H2,1-2H3
InChIKeySUUOSSIFOWSICN-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.22
Rot. Bonds6

About [2-ethoxy-4-(ethoxymethyl)-3,4,5-trifluorocyclohexa-1,5-dien-1-yl]methanol

[2-ethoxy-4-(ethoxymethyl)-3,4,5-trifluorocyclohexa-1,5-dien-1-yl]methanol (PubChem CID 88515660) has the molecular formula C12H17F3O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is [2-ethoxy-4-(ethoxymethyl)-3,4,5-trifluorocyclohexa-1,5-dien-1-yl]methanol.

Molecular Properties

Compound Name[2-ethoxy-4-(ethoxymethyl)-3,4,5-trifluorocyclohexa-1,5-dien-1-yl]methanol
PubChem CID88515660
Molecular FormulaC12H17F3O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC Name[2-ethoxy-4-(ethoxymethyl)-3,4,5-trifluorocyclohexa-1,5-dien-1-yl]methanol
SMILESCCOCC1(F)C(F)=CC(CO)=C(OCC)C1F
InChIInChI=1S/C12H17F3O3/c1-3-17-7-12(15)9(13)5-8(6-16)10(11(12)14)18-4-2/h5,11,16H,3-4,6-7H2,1-2H3
InChIKeySUUOSSIFOWSICN-UHFFFAOYSA-N
XLogP2.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-ethoxy-4-(ethoxymethyl)-3,4,5-trifluorocyclohexa-1,5-dien-1-yl]methanol 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 [2-ethoxy-4-(ethoxymethyl)-3,4,5-trifluorocyclohexa-1,5-dien-1-yl]methanol?
The IUPAC name of [2-ethoxy-4-(ethoxymethyl)-3,4,5-trifluorocyclohexa-1,5-dien-1-yl]methanol (CID 88515660) is [2-ethoxy-4-(ethoxymethyl)-3,4,5-trifluorocyclohexa-1,5-dien-1-yl]methanol.
What is the SMILES notation for [2-ethoxy-4-(ethoxymethyl)-3,4,5-trifluorocyclohexa-1,5-dien-1-yl]methanol?
The canonical SMILES for [2-ethoxy-4-(ethoxymethyl)-3,4,5-trifluorocyclohexa-1,5-dien-1-yl]methanol is CCOCC1(F)C(F)=CC(CO)=C(OCC)C1F.
What is the InChIKey of [2-ethoxy-4-(ethoxymethyl)-3,4,5-trifluorocyclohexa-1,5-dien-1-yl]methanol?
The InChIKey is SUUOSSIFOWSICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3O3/c1-3-17-7-12(15)9(13)5-8(6-16)10(11(12)14)18-4-2/h5,11,16H,3-4,6-7H2,1-2H3.
What are the key properties of [2-ethoxy-4-(ethoxymethyl)-3,4,5-trifluorocyclohexa-1,5-dien-1-yl]methanol?
[2-ethoxy-4-(ethoxymethyl)-3,4,5-trifluorocyclohexa-1,5-dien-1-yl]methanol has a molecular weight of 266.26 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-4-(ethoxymethyl)-3,4,5-trifluorocyclohexa-1,5-dien-1-yl]methanol is sourced from PubChem (CID 88515660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).