2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-octan-4-ylcyclohexyl)ethyl]benzene

C23H34F4O — CID 162577162

IUPAC2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-octan-4-ylcyclohexyl)ethyl]benzene
SMILESCCCCC(CCC)C1CCC(CCc2cc(F)c(OC(F)F)c(F)c2)CC1
InChIInChI=1S/C23H34F4O/c1-3-5-7-18(6-4-2)19-12-10-16(11-13-19)8-9-17-14-20(24)22(21(25)15-17)28-23(26)27/h14-16,18-19,23H,3-13H2,1-2H3
InChIKeyMINVKLQQTATVMD-UHFFFAOYSA-N
MW402.52 g/mol
LogP7.91
Rot. Bonds11

About 2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-octan-4-ylcyclohexyl)ethyl]benzene

2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-octan-4-ylcyclohexyl)ethyl]benzene (PubChem CID 162577162) has the molecular formula C23H34F4O and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-octan-4-ylcyclohexyl)ethyl]benzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-octan-4-ylcyclohexyl)ethyl]benzene
PubChem CID162577162
Molecular FormulaC23H34F4O
Molecular Weight402.52 g/mol
Exact Mass402.25
IUPAC Name2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-octan-4-ylcyclohexyl)ethyl]benzene
SMILESCCCCC(CCC)C1CCC(CCc2cc(F)c(OC(F)F)c(F)c2)CC1
InChIInChI=1S/C23H34F4O/c1-3-5-7-18(6-4-2)19-12-10-16(11-13-19)8-9-17-14-20(24)22(21(25)15-17)28-23(26)27/h14-16,18-19,23H,3-13H2,1-2H3
InChIKeyMINVKLQQTATVMD-UHFFFAOYSA-N
XLogP7.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
CID 22886894
2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-oct-4-enylcyclohexyl)ethyl]benzene
CID 54571608
2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-oct-5-enylcyclohexyl)ethyl]benzene
CID 54220741
2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-[(E)-oct-5-enyl]cyclohexyl]ethyl]benzene
CID 67589893
2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54007665
2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene
CID 18344238
4-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]butyl]-1-iodo-1-propylsilinane
CID 67744713
CID 23364828
CID 23364828
5-[4-[4-(difluoromethoxy)-3,5-difluorophenyl]butyl]-2-pentyl-3,4-dihydro-2H-pyran
CID 118358995
2-(difluoromethoxy)-1,3-difluoro-5-[4-[2-(4-iodocyclohexyl)ethyl]phenyl]benzene
CID 162547419
2-(4-butylcyclohexyl)-6-[4-(difluoromethoxy)-3,5-difluorophenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837418
1-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethynyl]-2-fluoro-6-[2-(4-heptylcyclohexyl)ethyl]naphthalene
CID 150865654

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-octan-4-ylcyclohexyl)ethyl]benzene?
The IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-octan-4-ylcyclohexyl)ethyl]benzene (CID 162577162) is 2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-octan-4-ylcyclohexyl)ethyl]benzene.
What is the SMILES notation for 2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-octan-4-ylcyclohexyl)ethyl]benzene?
The canonical SMILES for 2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-octan-4-ylcyclohexyl)ethyl]benzene is CCCCC(CCC)C1CCC(CCc2cc(F)c(OC(F)F)c(F)c2)CC1.
What is the InChIKey of 2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-octan-4-ylcyclohexyl)ethyl]benzene?
The InChIKey is MINVKLQQTATVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F4O/c1-3-5-7-18(6-4-2)19-12-10-16(11-13-19)8-9-17-14-20(24)22(21(25)15-17)28-23(26)27/h14-16,18-19,23H,3-13H2,1-2H3.
What are the key properties of 2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-octan-4-ylcyclohexyl)ethyl]benzene?
2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-octan-4-ylcyclohexyl)ethyl]benzene has a molecular weight of 402.52 g/mol, XLogP of 7.91, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1,3-difluoro-5-[2-(4-octan-4-ylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 162577162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).