5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene;ethane

C29H50F4O — CID 144714424

IUPAC5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene;ethane
SMILESCC.CC.CC.CCCC1CCC(C2CCC(C(F)(F)Oc3cc(F)c(C)c(F)c3)CC2)CC1
InChIInChI=1S/C23H32F4O.3C2H6/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)23(26,27)28-20-13-21(24)15(2)22(25)14-20;3*1-2/h13-14,16-19H,3-12H2,1-2H3;3*1-2H3
InChIKeyPBOXOLGOCTXTCD-UHFFFAOYSA-N
MW490.71 g/mol
LogP10.74
Rot. Bonds6

About 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene;ethane

5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene;ethane (PubChem CID 144714424) has the molecular formula C29H50F4O and a molecular weight of 490.71 g/mol. Its IUPAC name is 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene;ethane.

Molecular Properties

Compound Name5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene;ethane
PubChem CID144714424
Molecular FormulaC29H50F4O
Molecular Weight490.71 g/mol
Exact Mass490.38
IUPAC Name5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene;ethane
SMILESCC.CC.CC.CCCC1CCC(C2CCC(C(F)(F)Oc3cc(F)c(C)c(F)c3)CC2)CC1
InChIInChI=1S/C23H32F4O.3C2H6/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)23(26,27)28-20-13-21(24)15(2)22(25)14-20;3*1-2/h13-14,16-19H,3-12H2,1-2H3;3*1-2H3
InChIKeyPBOXOLGOCTXTCD-UHFFFAOYSA-N
XLogP10.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.71
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(4-butylcyclohexyl)-difluoromethoxy]-1,3-difluoro-2-methylbenzene
CID 134472887
4-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-2,6-difluorobenzoic acid
CID 20721618
4-[difluoro-[4-[4-(3-propylcyclopentyl)cyclohexyl]cyclohexyl]methoxy]-2-fluoro-1-(trifluoromethoxy)benzene
CID 58555559
5-[difluoro-[4-[4-(4-propylcyclohexyl)cyclohex-3-en-1-yl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene
CID 122578044
5-[[4-[4-(3-ethylcyclopentyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 134437843
1-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 118601282
2-(3,3-difluoro-2-iodoprop-1-enoxy)-5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluorobenzene
CID 123707380
2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-5-propyloxane
CID 126501483
5-[[4-(4-butylcyclohexyl)cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-(4-cyclopropylcyclohexyl)cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene;5-[difluoro-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]methoxy]-1,2,3-trifluorobenzene;5-[difluoro-[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;5-[[4-(4-ethylcyclohexyl)cyclohexyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 158351273
5-[difluoro-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]methoxy]-1,3-difluoro-2-(fluoromethoxy)benzene
CID 134222349
5-[4-[difluoro-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]methoxy]-2-fluorophenyl]-2-[difluoro(trifluoromethoxy)methyl]-1,3-difluorobenzene
CID 90180125
4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexane-1-carbaldehyde
CID 89144613

Frequently Asked Questions

What is the IUPAC name of 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene;ethane?
The IUPAC name of 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene;ethane (CID 144714424) is 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene;ethane.
What is the SMILES notation for 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene;ethane?
The canonical SMILES for 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene;ethane is CC.CC.CC.CCCC1CCC(C2CCC(C(F)(F)Oc3cc(F)c(C)c(F)c3)CC2)CC1.
What is the InChIKey of 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene;ethane?
The InChIKey is PBOXOLGOCTXTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F4O.3C2H6/c1-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)23(26,27)28-20-13-21(24)15(2)22(25)14-20;3*1-2/h13-14,16-19H,3-12H2,1-2H3;3*1-2H3.
What are the key properties of 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene;ethane?
5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene;ethane has a molecular weight of 490.71 g/mol, XLogP of 10.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-1,3-difluoro-2-methylbenzene;ethane is sourced from PubChem (CID 144714424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).