4-[bromo(difluoro)methoxy]-1-cyclohexyl-2-ethylcyclohexane

C15H25BrF2O — CID 57037965

IUPAC4-[bromo(difluoro)methoxy]-1-cyclohexyl-2-ethylcyclohexane
SMILESCCC1CC(OC(F)(F)Br)CCC1C1CCCCC1
InChIInChI=1S/C15H25BrF2O/c1-2-11-10-13(19-15(16,17)18)8-9-14(11)12-6-4-3-5-7-12/h11-14H,2-10H2,1H3
InChIKeyYOJVZDREIZWHNX-UHFFFAOYSA-N
MW339.26 g/mol
LogP5.72
Rot. Bonds4

About 4-[bromo(difluoro)methoxy]-1-cyclohexyl-2-ethylcyclohexane

4-[bromo(difluoro)methoxy]-1-cyclohexyl-2-ethylcyclohexane (PubChem CID 57037965) has the molecular formula C15H25BrF2O and a molecular weight of 339.26 g/mol. Its IUPAC name is 4-[bromo(difluoro)methoxy]-1-cyclohexyl-2-ethylcyclohexane.

Molecular Properties

Compound Name4-[bromo(difluoro)methoxy]-1-cyclohexyl-2-ethylcyclohexane
PubChem CID57037965
Molecular FormulaC15H25BrF2O
Molecular Weight339.26 g/mol
Exact Mass338.11
IUPAC Name4-[bromo(difluoro)methoxy]-1-cyclohexyl-2-ethylcyclohexane
SMILESCCC1CC(OC(F)(F)Br)CCC1C1CCCCC1
InChIInChI=1S/C15H25BrF2O/c1-2-11-10-13(19-15(16,17)18)8-9-14(11)12-6-4-3-5-7-12/h11-14H,2-10H2,1H3
InChIKeyYOJVZDREIZWHNX-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.26
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-ethylbicyclo[2.2.0]hexane
CID 143524617
1-cyclobutyl-2-ethylcyclobutane
CID 123211451
1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene
CID 22973488
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268
1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane
CID 143787282
3-ethyltricyclo[4.3.1.12,5]undecane
CID 163995336
2-cyclobutyl-5-(2-ethylcyclobutyl)bicyclo[4.2.0]octane
CID 165003699
(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane
CID 135256943
1-cyclohexyl-2,3-diethylcyclohexane
CID 143331465
9-(2-cyclohexylethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-cyclohexyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene;9-decyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 160562835
1-(2,4-dimethylcyclohexyl)-5-ethylcyclopentadecane
CID 58552269
2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22352805

Frequently Asked Questions

What is the IUPAC name of 4-[bromo(difluoro)methoxy]-1-cyclohexyl-2-ethylcyclohexane?
The IUPAC name of 4-[bromo(difluoro)methoxy]-1-cyclohexyl-2-ethylcyclohexane (CID 57037965) is 4-[bromo(difluoro)methoxy]-1-cyclohexyl-2-ethylcyclohexane.
What is the SMILES notation for 4-[bromo(difluoro)methoxy]-1-cyclohexyl-2-ethylcyclohexane?
The canonical SMILES for 4-[bromo(difluoro)methoxy]-1-cyclohexyl-2-ethylcyclohexane is CCC1CC(OC(F)(F)Br)CCC1C1CCCCC1.
What is the InChIKey of 4-[bromo(difluoro)methoxy]-1-cyclohexyl-2-ethylcyclohexane?
The InChIKey is YOJVZDREIZWHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrF2O/c1-2-11-10-13(19-15(16,17)18)8-9-14(11)12-6-4-3-5-7-12/h11-14H,2-10H2,1H3.
What are the key properties of 4-[bromo(difluoro)methoxy]-1-cyclohexyl-2-ethylcyclohexane?
4-[bromo(difluoro)methoxy]-1-cyclohexyl-2-ethylcyclohexane has a molecular weight of 339.26 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo(difluoro)methoxy]-1-cyclohexyl-2-ethylcyclohexane is sourced from PubChem (CID 57037965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).