5-[cyclohexyl(difluoro)methoxy]-1,2,3-trifluorobenzene

C13H13F5O — CID 126565052

IUPAC5-[cyclohexyl(difluoro)methoxy]-1,2,3-trifluorobenzene
SMILESFc1cc(OC(F)(F)C2CCCCC2)cc(F)c1F
InChIInChI=1S/C13H13F5O/c14-10-6-9(7-11(15)12(10)16)19-13(17,18)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyHYTWAXRMLLXXPF-UHFFFAOYSA-N
MW280.24 g/mol
LogP4.66
Rot. Bonds3

About 5-[cyclohexyl(difluoro)methoxy]-1,2,3-trifluorobenzene

5-[cyclohexyl(difluoro)methoxy]-1,2,3-trifluorobenzene (PubChem CID 126565052) has the molecular formula C13H13F5O and a molecular weight of 280.24 g/mol. Its IUPAC name is 5-[cyclohexyl(difluoro)methoxy]-1,2,3-trifluorobenzene.

Molecular Properties

Compound Name5-[cyclohexyl(difluoro)methoxy]-1,2,3-trifluorobenzene
PubChem CID126565052
Molecular FormulaC13H13F5O
Molecular Weight280.24 g/mol
Exact Mass280.09
IUPAC Name5-[cyclohexyl(difluoro)methoxy]-1,2,3-trifluorobenzene
SMILESFc1cc(OC(F)(F)C2CCCCC2)cc(F)c1F
InChIInChI=1S/C13H13F5O/c14-10-6-9(7-11(15)12(10)16)19-13(17,18)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyHYTWAXRMLLXXPF-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-[difluoro-(4-methoxycyclohexyl)methoxy]-1,2,3-trifluorobenzene
CID 122501992
4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]cyclohexane-1,1-diol;ethane
CID 142146438
1-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 135223773
6-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]spiro[2.5]octane;methane;molecular hydrogen
CID 158145820
5-[[4-(4-ethenylcyclohexyl)cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;methane;molecular hydrogen
CID 159648311
5-[[4-[4-(3-ethylcyclopentyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 134437843
[4-[difluoro-(4-methylcyclohexyl)methoxy]-2,6-difluorophenyl]-pentafluoro-λ6-sulfane
CID 21363259
1-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene
CID 135223857
5-[difluoro-[4-[(E)-2-[4-(2-fluoro-4-methylphenyl)cyclohexyl]ethenyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene
CID 122502084
4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexane-1-carbaldehyde
CID 89144613
5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluoro-2-iodobenzene
CID 121367346
1-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]ethyl]-2,3-difluoro-4-methylbenzene
CID 135223734

Frequently Asked Questions

What is the IUPAC name of 5-[cyclohexyl(difluoro)methoxy]-1,2,3-trifluorobenzene?
The IUPAC name of 5-[cyclohexyl(difluoro)methoxy]-1,2,3-trifluorobenzene (CID 126565052) is 5-[cyclohexyl(difluoro)methoxy]-1,2,3-trifluorobenzene.
What is the SMILES notation for 5-[cyclohexyl(difluoro)methoxy]-1,2,3-trifluorobenzene?
The canonical SMILES for 5-[cyclohexyl(difluoro)methoxy]-1,2,3-trifluorobenzene is Fc1cc(OC(F)(F)C2CCCCC2)cc(F)c1F.
What is the InChIKey of 5-[cyclohexyl(difluoro)methoxy]-1,2,3-trifluorobenzene?
The InChIKey is HYTWAXRMLLXXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F5O/c14-10-6-9(7-11(15)12(10)16)19-13(17,18)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 5-[cyclohexyl(difluoro)methoxy]-1,2,3-trifluorobenzene?
5-[cyclohexyl(difluoro)methoxy]-1,2,3-trifluorobenzene has a molecular weight of 280.24 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexyl(difluoro)methoxy]-1,2,3-trifluorobenzene is sourced from PubChem (CID 126565052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).