4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexane-1-carbaldehyde

C15H16F4O2 — CID 89144613

IUPAC4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexane-1-carbaldehyde
SMILESCc1c(F)cc(OC(F)(F)C2CCC(C=O)CC2)cc1F
InChIInChI=1S/C15H16F4O2/c1-9-13(16)6-12(7-14(9)17)21-15(18,19)11-4-2-10(8-20)3-5-11/h6-8,10-11H,2-5H2,1H3
InChIKeyOKHVBHVZIDAAMC-UHFFFAOYSA-N
MW304.28 g/mol
LogP4.25
Rot. Bonds4

About 4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexane-1-carbaldehyde

4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexane-1-carbaldehyde (PubChem CID 89144613) has the molecular formula C15H16F4O2 and a molecular weight of 304.28 g/mol. Its IUPAC name is 4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexane-1-carbaldehyde
PubChem CID89144613
Molecular FormulaC15H16F4O2
Molecular Weight304.28 g/mol
Exact Mass304.11
IUPAC Name4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexane-1-carbaldehyde
SMILESCc1c(F)cc(OC(F)(F)C2CCC(C=O)CC2)cc1F
InChIInChI=1S/C15H16F4O2/c1-9-13(16)6-12(7-14(9)17)21-15(18,19)11-4-2-10(8-20)3-5-11/h6-8,10-11H,2-5H2,1H3
InChIKeyOKHVBHVZIDAAMC-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[difluoro-[3-fluoro-4-(trifluoromethyl)phenoxy]methyl]cyclohexane-1-carbaldehyde
CID 122503805
4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexan-1-one
CID 70965494
5-[difluoro-[4-(methoxymethylidene)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene
CID 70965493
5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene
CID 134472887
5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene;ethane
CID 144714424
5-[cyclohexyl(difluoro)methoxy]-1,2,3-trifluorobenzene
CID 126565052
[4-[difluoro-(4-methylcyclohexyl)methoxy]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane
CID 21363259
5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluoro-2-iodobenzene
CID 121367346
5-[difluoro-(4-methoxycyclohexyl)methoxy]-1,2,3-trifluorobenzene
CID 122501992
5-[difluoro-[4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]methoxy]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 122502027
5-[difluoro-[4-[(E)-2-[4-(2-fluoro-4-methylphenyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene
CID 122502084
5-[difluoro-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 122502050

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexane-1-carbaldehyde (CID 89144613) is 4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexane-1-carbaldehyde is Cc1c(F)cc(OC(F)(F)C2CCC(C=O)CC2)cc1F.
What is the InChIKey of 4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexane-1-carbaldehyde?
The InChIKey is OKHVBHVZIDAAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4O2/c1-9-13(16)6-12(7-14(9)17)21-15(18,19)11-4-2-10(8-20)3-5-11/h6-8,10-11H,2-5H2,1H3.
What are the key properties of 4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexane-1-carbaldehyde?
4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexane-1-carbaldehyde has a molecular weight of 304.28 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 89144613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).