1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene

C30H37F5O — CID 18344097

IUPAC1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
SMILESCCCc1ccc(C2CCC(C3CCC(C(F)(F)Cc4ccc(OC(F)F)c(F)c4)CC3)CC2)cc1
InChIInChI=1S/C30H37F5O/c1-2-3-20-4-7-22(8-5-20)23-9-11-24(12-10-23)25-13-15-26(16-14-25)30(34,35)19-21-6-17-28(27(31)18-21)36-29(32)33/h4-8,17-18,23-26,29H,2-3,9-16,19H2,1H3
InChIKeyARMJHHUQMDBGFJ-UHFFFAOYSA-N
MW508.62 g/mol
LogP9.34
Rot. Bonds9

About 1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene

1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene (PubChem CID 18344097) has the molecular formula C30H37F5O and a molecular weight of 508.62 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
PubChem CID18344097
Molecular FormulaC30H37F5O
Molecular Weight508.62 g/mol
Exact Mass508.28
IUPAC Name1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
SMILESCCCc1ccc(C2CCC(C3CCC(C(F)(F)Cc4ccc(OC(F)F)c(F)c4)CC3)CC2)cc1
InChIInChI=1S/C30H37F5O/c1-2-3-20-4-7-22(8-5-20)23-9-11-24(12-10-23)25-13-15-26(16-14-25)30(34,35)19-21-6-17-28(27(31)18-21)36-29(32)33/h4-8,17-18,23-26,29H,2-3,9-16,19H2,1H3
InChIKeyARMJHHUQMDBGFJ-UHFFFAOYSA-N
XLogP9.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 160926873
1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene
CID 18344100
2-[4-[4-[1,1-difluoro-2-(3-fluoro-4-methoxyphenyl)ethyl]cyclohexyl]phenyl]-5-propylpyrimidine;hydrofluoride
CID 158628335
1-[4-[4-[2-(3,4-difluorophenyl)-1,1-difluoroethyl]cyclohexyl]cyclohexyl]-2-fluoro-4-propylbenzene
CID 18344050
1-(difluoromethoxy)-2-fluoro-4-[4-(4-hexylcyclohexyl)cyclohexyl]benzene
CID 18659075
1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-(4-pentylcyclohexyl)ethyl]cyclohexyl]-2-fluorobenzene;hydrate
CID 159915698
1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene
CID 19892612
2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene
CID 18344238
1-chloro-4-[2,2-difluoro-2-[4-[4-[4-(methoxymethyl)cyclohexyl]phenyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18344076
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
2-[4-(difluoromethoxy)-3-fluorophenyl]-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139864996
1-(difluoromethoxy)-4-[2-[difluoro-[4-(4-pentylcyclohexyl)phenyl]methoxy]phenyl]-2-fluorobenzene
CID 22941265

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene?
The IUPAC name of 1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene (CID 18344097) is 1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene?
The canonical SMILES for 1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene is CCCc1ccc(C2CCC(C3CCC(C(F)(F)Cc4ccc(OC(F)F)c(F)c4)CC3)CC2)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene?
The InChIKey is ARMJHHUQMDBGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37F5O/c1-2-3-20-4-7-22(8-5-20)23-9-11-24(12-10-23)25-13-15-26(16-14-25)30(34,35)19-21-6-17-28(27(31)18-21)36-29(32)33/h4-8,17-18,23-26,29H,2-3,9-16,19H2,1H3.
What are the key properties of 1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene?
1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene has a molecular weight of 508.62 g/mol, XLogP of 9.34, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene is sourced from PubChem (CID 18344097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).