1-ethyl-2,2,3,3-tetrafluoro-4-[4-(4-propylphenyl)phenyl]cyclohexane-1,4-diol

C23H26F4O2 — CID 162620984

IUPAC1-ethyl-2,2,3,3-tetrafluoro-4-[4-(4-propylphenyl)phenyl]cyclohexane-1,4-diol
SMILESCCCc1ccc(-c2ccc(C3(O)CCC(O)(CC)C(F)(F)C3(F)F)cc2)cc1
InChIInChI=1S/C23H26F4O2/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)21(29)15-14-20(28,4-2)22(24,25)23(21,26)27/h6-13,28-29H,3-5,14-15H2,1-2H3
InChIKeyNMVFPMZZCSDREM-UHFFFAOYSA-N
MW410.45 g/mol
LogP5.70
Rot. Bonds5

About 1-ethyl-2,2,3,3-tetrafluoro-4-[4-(4-propylphenyl)phenyl]cyclohexane-1,4-diol

1-ethyl-2,2,3,3-tetrafluoro-4-[4-(4-propylphenyl)phenyl]cyclohexane-1,4-diol (PubChem CID 162620984) has the molecular formula C23H26F4O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 1-ethyl-2,2,3,3-tetrafluoro-4-[4-(4-propylphenyl)phenyl]cyclohexane-1,4-diol.

Molecular Properties

Compound Name1-ethyl-2,2,3,3-tetrafluoro-4-[4-(4-propylphenyl)phenyl]cyclohexane-1,4-diol
PubChem CID162620984
Molecular FormulaC23H26F4O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name1-ethyl-2,2,3,3-tetrafluoro-4-[4-(4-propylphenyl)phenyl]cyclohexane-1,4-diol
SMILESCCCc1ccc(-c2ccc(C3(O)CCC(O)(CC)C(F)(F)C3(F)F)cc2)cc1
InChIInChI=1S/C23H26F4O2/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)21(29)15-14-20(28,4-2)22(24,25)23(21,26)27/h6-13,28-29H,3-5,14-15H2,1-2H3
InChIKeyNMVFPMZZCSDREM-UHFFFAOYSA-N
XLogP5.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-2,2,3,3-tetrafluoro-4-[4-(4-propylphenyl)phenyl]cyclohexane-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-4-[4-(4-propylphenyl)phenyl]bicyclo[2.2.2]octane
CID 86012502
1-(4-propylphenyl)cyclobutan-1-ol
CID 79080570
1-(4-propylphenyl)cyclopentan-1-ol
CID 62802063
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine
CID 63424945
1-(4-propylphenyl)cyclopropan-1-amine
CID 82280519
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
[1-fluoro-2-(4-propylphenyl)cyclohexa-2,4-dien-1-yl]boronic acid
CID 154506321
3-(4-propylphenyl)thietan-3-ol
CID 130914921
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
4-propyl-1-[4-(4-propylphenyl)phenyl]cyclohexane-1-carbonitrile
CID 18643171

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2,3,3-tetrafluoro-4-[4-(4-propylphenyl)phenyl]cyclohexane-1,4-diol?
The IUPAC name of 1-ethyl-2,2,3,3-tetrafluoro-4-[4-(4-propylphenyl)phenyl]cyclohexane-1,4-diol (CID 162620984) is 1-ethyl-2,2,3,3-tetrafluoro-4-[4-(4-propylphenyl)phenyl]cyclohexane-1,4-diol.
What is the SMILES notation for 1-ethyl-2,2,3,3-tetrafluoro-4-[4-(4-propylphenyl)phenyl]cyclohexane-1,4-diol?
The canonical SMILES for 1-ethyl-2,2,3,3-tetrafluoro-4-[4-(4-propylphenyl)phenyl]cyclohexane-1,4-diol is CCCc1ccc(-c2ccc(C3(O)CCC(O)(CC)C(F)(F)C3(F)F)cc2)cc1.
What is the InChIKey of 1-ethyl-2,2,3,3-tetrafluoro-4-[4-(4-propylphenyl)phenyl]cyclohexane-1,4-diol?
The InChIKey is NMVFPMZZCSDREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F4O2/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)21(29)15-14-20(28,4-2)22(24,25)23(21,26)27/h6-13,28-29H,3-5,14-15H2,1-2H3.
What are the key properties of 1-ethyl-2,2,3,3-tetrafluoro-4-[4-(4-propylphenyl)phenyl]cyclohexane-1,4-diol?
1-ethyl-2,2,3,3-tetrafluoro-4-[4-(4-propylphenyl)phenyl]cyclohexane-1,4-diol has a molecular weight of 410.45 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2,3,3-tetrafluoro-4-[4-(4-propylphenyl)phenyl]cyclohexane-1,4-diol is sourced from PubChem (CID 162620984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).