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

C30H37F5O — CID 18344100

IUPAC1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene
SMILESCCCC1CCC(C2CCC(C(F)(F)Cc3ccc(-c4ccc(OC(F)F)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C30H37F5O/c1-2-3-20-4-8-22(9-5-20)23-12-15-26(16-13-23)30(34,35)19-21-6-10-24(11-7-21)25-14-17-28(27(31)18-25)36-29(32)33/h6-7,10-11,14,17-18,20,22-23,26,29H,2-5,8-9,12-13,15-16,19H2,1H3
InChIKeyUAIVOYWMQXHXKB-UHFFFAOYSA-N
MW508.62 g/mol
LogP9.68
Rot. Bonds9

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

1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene (PubChem CID 18344100) has the molecular formula C30H37F5O and a molecular weight of 508.62 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene
PubChem CID18344100
Molecular FormulaC30H37F5O
Molecular Weight508.62 g/mol
Exact Mass508.28
IUPAC Name1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene
SMILESCCCC1CCC(C2CCC(C(F)(F)Cc3ccc(-c4ccc(OC(F)F)c(F)c4)cc3)CC2)CC1
InChIInChI=1S/C30H37F5O/c1-2-3-20-4-8-22(9-5-20)23-12-15-26(16-13-23)30(34,35)19-21-6-10-24(11-7-21)25-14-17-28(27(31)18-25)36-29(32)33/h6-7,10-11,14,17-18,20,22-23,26,29H,2-5,8-9,12-13,15-16,19H2,1H3
InChIKeyUAIVOYWMQXHXKB-UHFFFAOYSA-N
XLogP9.68
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 ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

1-chloro-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene
CID 18344083
1-(difluoromethoxy)-4-[2,2-difluoro-2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18344097
2-(difluoromethoxy)-5-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-1,3-difluorobenzene
CID 18344238
5-[4-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]phenyl]-2-fluorophenyl]-1,3-difluoro-2-(trifluoromethyl)benzene
CID 18344457
1-(3,4-difluorophenyl)-4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorobenzene
CID 18343984
5-[4-[2,2-difluoro-2-(4-propylcyclohexyl)ethyl]-2-fluorophenyl]-1,3-difluoro-2-(3-fluoro-4-methylphenyl)benzene
CID 18344427
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
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-[difluoro(trifluoromethoxy)methyl]-2-fluoro-4-[4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 90180053
1-(difluoromethoxy)-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 160926873

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene?
The IUPAC name of 1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene (CID 18344100) is 1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene?
The canonical SMILES for 1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene is CCCC1CCC(C2CCC(C(F)(F)Cc3ccc(-c4ccc(OC(F)F)c(F)c4)cc3)CC2)CC1.
What is the InChIKey of 1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene?
The InChIKey is UAIVOYWMQXHXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37F5O/c1-2-3-20-4-8-22(9-5-20)23-12-15-26(16-13-23)30(34,35)19-21-6-10-24(11-7-21)25-14-17-28(27(31)18-25)36-29(32)33/h6-7,10-11,14,17-18,20,22-23,26,29H,2-5,8-9,12-13,15-16,19H2,1H3.
What are the key properties of 1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene?
1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene has a molecular weight of 508.62 g/mol, XLogP of 9.68, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene is sourced from PubChem (CID 18344100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).