1-chloro-4-[1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-2-fluorobenzene

C23H23ClF4 — CID 123874382

IUPAC1-chloro-4-[1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-2-fluorobenzene
SMILESCCCC1CCC(c2ccc(C(F)=C(F)c3ccc(Cl)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C23H23ClF4/c1-2-3-14-4-6-15(7-5-14)16-8-10-18(20(25)12-16)23(28)22(27)17-9-11-19(24)21(26)13-17/h8-15H,2-7H2,1H3
InChIKeyUWJRYRPCBDYAQG-UHFFFAOYSA-N
MW410.88 g/mol
LogP8.46
Rot. Bonds5

About 1-chloro-4-[1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-2-fluorobenzene

1-chloro-4-[1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-2-fluorobenzene (PubChem CID 123874382) has the molecular formula C23H23ClF4 and a molecular weight of 410.88 g/mol. Its IUPAC name is 1-chloro-4-[1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-4-[1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-2-fluorobenzene
PubChem CID123874382
Molecular FormulaC23H23ClF4
Molecular Weight410.88 g/mol
Exact Mass410.14
IUPAC Name1-chloro-4-[1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-2-fluorobenzene
SMILESCCCC1CCC(c2ccc(C(F)=C(F)c3ccc(Cl)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C23H23ClF4/c1-2-3-14-4-6-15(7-5-14)16-8-10-18(20(25)12-16)23(28)22(27)17-9-11-19(24)21(26)13-17/h8-15H,2-7H2,1H3
InChIKeyUWJRYRPCBDYAQG-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.88
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-[(Z)-1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2,3-trifluorobenzene
CID 89147445
1-chloro-4-[4-[3-(4-ethylcyclohexyl)propyl]cyclohexyl]-2-fluorobenzene
CID 139725228
2-fluoro-1-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propan-1-one
CID 56988629
1-chloro-2-fluoro-4-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19094990
CID 22913655
CID 22913655
2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene
CID 18681375
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
2-fluoro-4-(4-pentylcyclohexyl)benzoyl chloride
CID 54397331
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,2-difluoroethenyl]-1,3-difluoro-5-(4-propylcyclohexyl)benzene
CID 123945643
3-[2-[4-[4-(4-chloro-3-fluorophenyl)cyclohexyl]cyclohexyl]ethyl]dioxirane
CID 139724798
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]prop-2-en-1-one
CID 19101207

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-2-fluorobenzene?
The IUPAC name of 1-chloro-4-[1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-2-fluorobenzene (CID 123874382) is 1-chloro-4-[1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-2-fluorobenzene.
What is the SMILES notation for 1-chloro-4-[1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-2-fluorobenzene?
The canonical SMILES for 1-chloro-4-[1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-2-fluorobenzene is CCCC1CCC(c2ccc(C(F)=C(F)c3ccc(Cl)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 1-chloro-4-[1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-2-fluorobenzene?
The InChIKey is UWJRYRPCBDYAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF4/c1-2-3-14-4-6-15(7-5-14)16-8-10-18(20(25)12-16)23(28)22(27)17-9-11-19(24)21(26)13-17/h8-15H,2-7H2,1H3.
What are the key properties of 1-chloro-4-[1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-2-fluorobenzene?
1-chloro-4-[1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-2-fluorobenzene has a molecular weight of 410.88 g/mol, XLogP of 8.46, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-2-fluorobenzene is sourced from PubChem (CID 123874382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).