1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene

C30H39F5O — CID 160926873

IUPAC1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
SMILESCCCc1ccc(C2CCC(C3CCC(CCF)CC3)CC2)cc1.Fc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C23H35F.C7H4F4O/c1-2-3-18-4-8-20(9-5-18)22-12-14-23(15-13-22)21-10-6-19(7-11-21)16-17-24;8-4-1-2-6(5(9)3-4)12-7(10)11/h4-5,8-9,19,21-23H,2-3,6-7,10-17H2,1H3;1-3,7H
InChIKeySSTIQGVQTFZARR-UHFFFAOYSA-N
MW510.63 g/mol
LogP9.65
Rot. Bonds8

About 1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene

1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene (PubChem CID 160926873) has the molecular formula C30H39F5O and a molecular weight of 510.63 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
PubChem CID160926873
Molecular FormulaC30H39F5O
Molecular Weight510.63 g/mol
Exact Mass510.29
IUPAC Name1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
SMILESCCCc1ccc(C2CCC(C3CCC(CCF)CC3)CC2)cc1.Fc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C23H35F.C7H4F4O/c1-2-3-18-4-8-20(9-5-18)22-12-14-23(15-13-22)21-10-6-19(7-11-21)16-17-24;8-4-1-2-6(5(9)3-4)12-7(10)11/h4-5,8-9,19,21-23H,2-3,6-7,10-17H2,1H3;1-3,7H
InChIKeySSTIQGVQTFZARR-UHFFFAOYSA-N
XLogP9.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18344097
1,3-difluorobenzene;1-[4-(2-fluoroethyl)cyclohexyl]-4-propylbenzene
CID 160914684
1-(difluoromethoxy)-2-fluoro-4-[4-(4-hexylcyclohexyl)cyclohexyl]benzene
CID 18659075
2,4-difluoro-1-(1,1,2,2-tetrafluoroethoxy)benzene;1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 162134609
1-chloro-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-(methoxymethyl)benzene
CID 158978901
2-fluoro-1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18344256
1-(difluoromethoxy)-2-fluoro-4-(4-fluorocyclohexyl)benzene;1-(2-fluoroethyl)-4-pentoxycyclohexane
CID 159053657
2,4-difluoro-1-methoxybenzene;2-(2-fluoroethyl)-5-(4-propylphenyl)-1,3-dioxane;hydrofluoride
CID 158580223
1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene
CID 19892612
1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene
CID 18344100
1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 173305630
2-[4-[4-(difluoromethoxy)-3-fluorophenyl]phenyl]-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 70229872

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene?
The IUPAC name of 1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene (CID 160926873) is 1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene.
What is the SMILES notation for 1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene?
The canonical SMILES for 1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene is CCCc1ccc(C2CCC(C3CCC(CCF)CC3)CC2)cc1.Fc1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene?
The InChIKey is SSTIQGVQTFZARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35F.C7H4F4O/c1-2-3-18-4-8-20(9-5-18)22-12-14-23(15-13-22)21-10-6-19(7-11-21)16-17-24;8-4-1-2-6(5(9)3-4)12-7(10)11/h4-5,8-9,19,21-23H,2-3,6-7,10-17H2,1H3;1-3,7H.
What are the key properties of 1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene?
1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene has a molecular weight of 510.63 g/mol, XLogP of 9.65, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene is sourced from PubChem (CID 160926873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).