5-[difluoro-(4-methoxycyclohexyl)methoxy]-1,2,3-trifluorobenzene

C14H15F5O2 — CID 122501992

IUPAC5-[difluoro-(4-methoxycyclohexyl)methoxy]-1,2,3-trifluorobenzene
SMILESCOC1CCC(C(F)(F)Oc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C14H15F5O2/c1-20-9-4-2-8(3-5-9)14(18,19)21-10-6-11(15)13(17)12(16)7-10/h6-9H,2-5H2,1H3
InChIKeyOSOUBTPPHNCUES-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.28
Rot. Bonds4

About 5-[difluoro-(4-methoxycyclohexyl)methoxy]-1,2,3-trifluorobenzene

5-[difluoro-(4-methoxycyclohexyl)methoxy]-1,2,3-trifluorobenzene (PubChem CID 122501992) has the molecular formula C14H15F5O2 and a molecular weight of 310.26 g/mol. Its IUPAC name is 5-[difluoro-(4-methoxycyclohexyl)methoxy]-1,2,3-trifluorobenzene.

Molecular Properties

Compound Name5-[difluoro-(4-methoxycyclohexyl)methoxy]-1,2,3-trifluorobenzene
PubChem CID122501992
Molecular FormulaC14H15F5O2
Molecular Weight310.26 g/mol
Exact Mass310.10
IUPAC Name5-[difluoro-(4-methoxycyclohexyl)methoxy]-1,2,3-trifluorobenzene
SMILESCOC1CCC(C(F)(F)Oc2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C14H15F5O2/c1-20-9-4-2-8(3-5-9)14(18,19)21-10-6-11(15)13(17)12(16)7-10/h6-9H,2-5H2,1H3
InChIKeyOSOUBTPPHNCUES-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[cyclohexyl(difluoro)methoxy]-1,2,3-trifluorobenzene
CID 126565052
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
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
5-[difluoro-(4-methylcyclohexyl)methoxy]-1,3-difluoro-2-iodobenzene
CID 121367346
1-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]cyclohexyl]-2,3-difluoro-4-methylbenzene
CID 135223857
6-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]spiro[2.5]octane;methane;molecular hydrogen
CID 158145820
1-[2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]ethyl]-2,3-difluoro-4-methylbenzene
CID 135223734
1-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 118601282
5-[[4-(4-ethenylcyclohexyl)cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;methane;molecular hydrogen
CID 159648311
(3,4,5-trifluorophenyl) 4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,6-difluorobenzoate
CID 20802027

Frequently Asked Questions

What is the IUPAC name of 5-[difluoro-(4-methoxycyclohexyl)methoxy]-1,2,3-trifluorobenzene?
The IUPAC name of 5-[difluoro-(4-methoxycyclohexyl)methoxy]-1,2,3-trifluorobenzene (CID 122501992) is 5-[difluoro-(4-methoxycyclohexyl)methoxy]-1,2,3-trifluorobenzene.
What is the SMILES notation for 5-[difluoro-(4-methoxycyclohexyl)methoxy]-1,2,3-trifluorobenzene?
The canonical SMILES for 5-[difluoro-(4-methoxycyclohexyl)methoxy]-1,2,3-trifluorobenzene is COC1CCC(C(F)(F)Oc2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of 5-[difluoro-(4-methoxycyclohexyl)methoxy]-1,2,3-trifluorobenzene?
The InChIKey is OSOUBTPPHNCUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F5O2/c1-20-9-4-2-8(3-5-9)14(18,19)21-10-6-11(15)13(17)12(16)7-10/h6-9H,2-5H2,1H3.
What are the key properties of 5-[difluoro-(4-methoxycyclohexyl)methoxy]-1,2,3-trifluorobenzene?
5-[difluoro-(4-methoxycyclohexyl)methoxy]-1,2,3-trifluorobenzene has a molecular weight of 310.26 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[difluoro-(4-methoxycyclohexyl)methoxy]-1,2,3-trifluorobenzene is sourced from PubChem (CID 122501992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).