4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carbaldehyde

C15H14F6O2 — CID 122503805

IUPAC4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(C(F)(F)Oc2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C15H14F6O2/c16-13-7-11(5-6-12(13)14(17,18)19)23-15(20,21)10-3-1-9(8-22)2-4-10/h5-10H,1-4H2
InChIKeyWOGSQCWRXRMKQE-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.82
Rot. Bonds4

About 4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carbaldehyde

4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carbaldehyde (PubChem CID 122503805) has the molecular formula C15H14F6O2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carbaldehyde
PubChem CID122503805
Molecular FormulaC15H14F6O2
Molecular Weight340.26 g/mol
Exact Mass340.09
IUPAC Name4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(C(F)(F)Oc2ccc(C(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C15H14F6O2/c16-13-7-11(5-6-12(13)14(17,18)19)23-15(20,21)10-3-1-9(8-22)2-4-10/h5-10H,1-4H2
InChIKeyWOGSQCWRXRMKQE-UHFFFAOYSA-N
XLogP4.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carbaldehyde 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 4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carbaldehyde (CID 122503805) is 4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carbaldehyde is O=CC1CCC(C(F)(F)Oc2ccc(C(F)(F)F)c(F)c2)CC1.
What is the InChIKey of 4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carbaldehyde?
The InChIKey is WOGSQCWRXRMKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F6O2/c16-13-7-11(5-6-12(13)14(17,18)19)23-15(20,21)10-3-1-9(8-22)2-4-10/h5-10H,1-4H2.
What are the key properties of 4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carbaldehyde?
4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carbaldehyde has a molecular weight of 340.26 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 122503805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).