2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene

C22H24F4O — CID 90411177

IUPAC2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene
SMILESCCCc1cc(F)c(OCC2CCC(c3cc(F)cc(F)c3)CC2)c(F)c1
InChIInChI=1S/C22H24F4O/c1-2-3-15-8-20(25)22(21(26)9-15)27-13-14-4-6-16(7-5-14)17-10-18(23)12-19(24)11-17/h8-12,14,16H,2-7,13H2,1H3
InChIKeyGTRBQPVQXMSIQT-UHFFFAOYSA-N
MW380.43 g/mol
LogP6.55
Rot. Bonds6

About 2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene

2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene (PubChem CID 90411177) has the molecular formula C22H24F4O and a molecular weight of 380.43 g/mol. Its IUPAC name is 2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene.

Molecular Properties

Compound Name2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene
PubChem CID90411177
Molecular FormulaC22H24F4O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene
SMILESCCCc1cc(F)c(OCC2CCC(c3cc(F)cc(F)c3)CC2)c(F)c1
InChIInChI=1S/C22H24F4O/c1-2-3-15-8-20(25)22(21(26)9-15)27-13-14-4-6-16(7-5-14)17-10-18(23)12-19(24)11-17/h8-12,14,16H,2-7,13H2,1H3
InChIKeyGTRBQPVQXMSIQT-UHFFFAOYSA-N
XLogP6.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.43
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-butyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene
CID 130191401
5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-butyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-pentyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-propyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(4-ethyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-ethyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene
CID 157138065
5-butyl-1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]methoxy]benzene
CID 130191421
1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexyl]methoxy]-5-pentylbenzene
CID 130191423
1-ethoxy-2,3-difluoro-4-[[4-(4-propylphenyl)cyclohexyl]methoxy]benzene
CID 118595885
5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene
CID 79887966
1-[3,5-difluoro-4-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]phenyl]propan-1-amine
CID 130203765
2-[4-[(4-cyclohexyl-2,6-difluorophenoxy)methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 58430258
1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 18720773
5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane;5-[(4-ethyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)-1,3-dioxane
CID 160669891
5-[4-[(2,6-difluorophenoxy)methyl]cyclohexyl]-1,3-difluoro-2-(3,4,5-trifluorophenyl)benzene
CID 134560861
1-[(4-ethylcyclohexyl)methoxy]-2-fluoro-4-(4-propylphenyl)benzene
CID 67791440

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene?
The IUPAC name of 2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene (CID 90411177) is 2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene.
What is the SMILES notation for 2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene?
The canonical SMILES for 2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene is CCCc1cc(F)c(OCC2CCC(c3cc(F)cc(F)c3)CC2)c(F)c1.
What is the InChIKey of 2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene?
The InChIKey is GTRBQPVQXMSIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4O/c1-2-3-15-8-20(25)22(21(26)9-15)27-13-14-4-6-16(7-5-14)17-10-18(23)12-19(24)11-17/h8-12,14,16H,2-7,13H2,1H3.
What are the key properties of 2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene?
2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene has a molecular weight of 380.43 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene is sourced from PubChem (CID 90411177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).