1-chloro-4-[4-[4-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]-2-fluorobenzene

C28H40ClF3O — CID 18344086

IUPAC1-chloro-4-[4-[4-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]-2-fluorobenzene
SMILESCOCC1CCC(C(F)(F)CC2CCC(C3CCC(c4ccc(Cl)c(F)c4)CC3)CC2)CC1
InChIInChI=1S/C28H40ClF3O/c1-33-18-20-4-13-25(14-5-20)28(31,32)17-19-2-6-21(7-3-19)22-8-10-23(11-9-22)24-12-15-26(29)27(30)16-24/h12,15-16,19-23,25H,2-11,13-14,17-18H2,1H3
InChIKeyFWFLEYWSEYCKBD-UHFFFAOYSA-N
MW485.07 g/mol
LogP9.04
Rot. Bonds7

About 1-chloro-4-[4-[4-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]-2-fluorobenzene

1-chloro-4-[4-[4-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]-2-fluorobenzene (PubChem CID 18344086) has the molecular formula C28H40ClF3O and a molecular weight of 485.07 g/mol. Its IUPAC name is 1-chloro-4-[4-[4-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-4-[4-[4-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]-2-fluorobenzene
PubChem CID18344086
Molecular FormulaC28H40ClF3O
Molecular Weight485.07 g/mol
Exact Mass484.27
IUPAC Name1-chloro-4-[4-[4-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]-2-fluorobenzene
SMILESCOCC1CCC(C(F)(F)CC2CCC(C3CCC(c4ccc(Cl)c(F)c4)CC3)CC2)CC1
InChIInChI=1S/C28H40ClF3O/c1-33-18-20-4-13-25(14-5-20)28(31,32)17-19-2-6-21(7-3-19)22-8-10-23(11-9-22)24-12-15-26(29)27(30)16-24/h12,15-16,19-23,25H,2-11,13-14,17-18H2,1H3
InChIKeyFWFLEYWSEYCKBD-UHFFFAOYSA-N
XLogP9.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.07
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-4-[4-[4-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]-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-Chloro-4-[2,3,3-trifluoro-1-(2-methoxyethyl)-2-propenyl]benzene
CID 12056647
1-Chloro-4-[(2E)-2,3-difluoro-1-(2-methoxyethyl)-2-propenyl]benzene
CID 12056648
1-Chloro-4-[2,2-difluoro-2-[4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18344075
1-Chloro-4-[2,2-difluoro-2-[4-[4-[4-(methoxymethyl)cyclohexyl]phenyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18344076
1-Chloro-4-[2,2-difluoro-2-[4-[4-[4-(methoxymethyl)phenyl]cyclohexyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18344077
1-Chloro-4-[2,2-difluoro-2-[4-[4-[4-(methoxymethyl)phenyl]phenyl]cyclohexyl]ethyl]-2-fluorobenzene
CID 18344078
1-Chloro-4-[2-[4-(4-ethoxycyclohexyl)cyclohexyl]-2,2-difluoroethyl]-2-fluorobenzene
CID 18344081
1-Chloro-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]-2-fluorobenzene
CID 18344082
1-Chloro-4-[4-[2,2-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]phenyl]-2-fluorobenzene
CID 18344083
1-Chloro-4-[4-[2-(4-ethylcyclohexyl)-2,2-difluoroethyl]cyclohexyl]-2-fluorobenzene
CID 18344085
1-Chloro-4-[4-[4-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexyl]phenyl]-2-fluorobenzene
CID 18344087
2-[4-(4-Chloro-3-fluorophenyl)phenyl]-5-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]-1,3-difluorobenzene
CID 18344205

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-[4-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]-2-fluorobenzene?
The IUPAC name of 1-chloro-4-[4-[4-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]-2-fluorobenzene (CID 18344086) is 1-chloro-4-[4-[4-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]-2-fluorobenzene.
What is the SMILES notation for 1-chloro-4-[4-[4-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]-2-fluorobenzene?
The canonical SMILES for 1-chloro-4-[4-[4-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]-2-fluorobenzene is COCC1CCC(C(F)(F)CC2CCC(C3CCC(c4ccc(Cl)c(F)c4)CC3)CC2)CC1.
What is the InChIKey of 1-chloro-4-[4-[4-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]-2-fluorobenzene?
The InChIKey is FWFLEYWSEYCKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40ClF3O/c1-33-18-20-4-13-25(14-5-20)28(31,32)17-19-2-6-21(7-3-19)22-8-10-23(11-9-22)24-12-15-26(29)27(30)16-24/h12,15-16,19-23,25H,2-11,13-14,17-18H2,1H3.
What are the key properties of 1-chloro-4-[4-[4-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]-2-fluorobenzene?
1-chloro-4-[4-[4-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]-2-fluorobenzene has a molecular weight of 485.07 g/mol, XLogP of 9.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-[4-[2,2-difluoro-2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexyl]cyclohexyl]-2-fluorobenzene is sourced from PubChem (CID 18344086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).