1-ethoxy-4-[4-[4-(ethoxymethyl)-2,2-difluorocyclohexyl]cyclohexyl]benzene

C23H34F2O2 — CID 130352171

IUPAC1-ethoxy-4-[4-[4-(ethoxymethyl)-2,2-difluorocyclohexyl]cyclohexyl]benzene
SMILESCCOCC1CCC(C2CCC(c3ccc(OCC)cc3)CC2)C(F)(F)C1
InChIInChI=1S/C23H34F2O2/c1-3-26-16-17-5-14-22(23(24,25)15-17)20-8-6-18(7-9-20)19-10-12-21(13-11-19)27-4-2/h10-13,17-18,20,22H,3-9,14-16H2,1-2H3
InChIKeyZDOJVQHLJNOXJO-UHFFFAOYSA-N
MW380.52 g/mol
LogP6.45
Rot. Bonds7

About 1-ethoxy-4-[4-[4-(ethoxymethyl)-2,2-difluorocyclohexyl]cyclohexyl]benzene

1-ethoxy-4-[4-[4-(ethoxymethyl)-2,2-difluorocyclohexyl]cyclohexyl]benzene (PubChem CID 130352171) has the molecular formula C23H34F2O2 and a molecular weight of 380.52 g/mol. Its IUPAC name is 1-ethoxy-4-[4-[4-(ethoxymethyl)-2,2-difluorocyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[4-[4-(ethoxymethyl)-2,2-difluorocyclohexyl]cyclohexyl]benzene
PubChem CID130352171
Molecular FormulaC23H34F2O2
Molecular Weight380.52 g/mol
Exact Mass380.25
IUPAC Name1-ethoxy-4-[4-[4-(ethoxymethyl)-2,2-difluorocyclohexyl]cyclohexyl]benzene
SMILESCCOCC1CCC(C2CCC(c3ccc(OCC)cc3)CC2)C(F)(F)C1
InChIInChI=1S/C23H34F2O2/c1-3-26-16-17-5-14-22(23(24,25)15-17)20-8-6-18(7-9-20)19-10-12-21(13-11-19)27-4-2/h10-13,17-18,20,22H,3-9,14-16H2,1-2H3
InChIKeyZDOJVQHLJNOXJO-UHFFFAOYSA-N
XLogP6.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.52
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-fluorobenzene
CID 130352162
1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
CID 57277753
1-ethoxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 18605125
4-[(1S,4R)-3,3-difluoro-4-(4-propylcyclohexyl)cyclohexyl]-1-ethoxy-2-fluorobenzene
CID 139604059
1-[4-(2,2-difluoro-4-propylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene
CID 130261244
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938
1-ethoxy-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene
CID 20539326
1-ethoxy-4-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-3,3-difluorocyclohexyl]-2,3-difluorobenzene
CID 130261604
1-ethoxy-4-[4-[4-[(2R)-2-phenylpropyl]cyclohexyl]cyclohexyl]benzene
CID 58698888
5-[4-(4-ethoxyphenyl)cyclohexyl]-2-fluoropyridine
CID 19765513
4-(4-ethoxyphenyl)piperidine
CID 21495191
1-(4,4-dimethylcyclohexyl)-4-(ethoxymethoxy)benzene
CID 150673745

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[4-[4-(ethoxymethyl)-2,2-difluorocyclohexyl]cyclohexyl]benzene?
The IUPAC name of 1-ethoxy-4-[4-[4-(ethoxymethyl)-2,2-difluorocyclohexyl]cyclohexyl]benzene (CID 130352171) is 1-ethoxy-4-[4-[4-(ethoxymethyl)-2,2-difluorocyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[4-[4-(ethoxymethyl)-2,2-difluorocyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 1-ethoxy-4-[4-[4-(ethoxymethyl)-2,2-difluorocyclohexyl]cyclohexyl]benzene is CCOCC1CCC(C2CCC(c3ccc(OCC)cc3)CC2)C(F)(F)C1.
What is the InChIKey of 1-ethoxy-4-[4-[4-(ethoxymethyl)-2,2-difluorocyclohexyl]cyclohexyl]benzene?
The InChIKey is ZDOJVQHLJNOXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F2O2/c1-3-26-16-17-5-14-22(23(24,25)15-17)20-8-6-18(7-9-20)19-10-12-21(13-11-19)27-4-2/h10-13,17-18,20,22H,3-9,14-16H2,1-2H3.
What are the key properties of 1-ethoxy-4-[4-[4-(ethoxymethyl)-2,2-difluorocyclohexyl]cyclohexyl]benzene?
1-ethoxy-4-[4-[4-(ethoxymethyl)-2,2-difluorocyclohexyl]cyclohexyl]benzene has a molecular weight of 380.52 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[4-[4-(ethoxymethyl)-2,2-difluorocyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 130352171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).