5-[(Z)-1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2,3-trifluorobenzene

C23H22F6 — CID 89147445

IUPAC5-[(Z)-1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2,3-trifluorobenzene
SMILESCCCC1CCC(c2ccc(/C(F)=C(/F)c3cc(F)c(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C23H22F6/c1-2-3-13-4-6-14(7-5-13)15-8-9-17(18(24)10-15)22(28)21(27)16-11-19(25)23(29)20(26)12-16/h8-14H,2-7H2,1H3/b22-21-
InChIKeyUNXOAWQQIVWMCI-DQRAZIAOSA-N
MW412.42 g/mol
LogP8.08
Rot. Bonds5

About 5-[(Z)-1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2,3-trifluorobenzene

5-[(Z)-1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2,3-trifluorobenzene (PubChem CID 89147445) has the molecular formula C23H22F6 and a molecular weight of 412.42 g/mol. Its IUPAC name is 5-[(Z)-1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2,3-trifluorobenzene.

Molecular Properties

Compound Name5-[(Z)-1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2,3-trifluorobenzene
PubChem CID89147445
Molecular FormulaC23H22F6
Molecular Weight412.42 g/mol
Exact Mass412.16
IUPAC Name5-[(Z)-1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2,3-trifluorobenzene
SMILESCCCC1CCC(c2ccc(/C(F)=C(/F)c3cc(F)c(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C23H22F6/c1-2-3-13-4-6-14(7-5-13)15-8-9-17(18(24)10-15)22(28)21(27)16-11-19(25)23(29)20(26)12-16/h8-14H,2-7H2,1H3/b22-21-
InChIKeyUNXOAWQQIVWMCI-DQRAZIAOSA-N
XLogP8.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.42
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 5-[(Z)-1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2,3-trifluorobenzene with MolForge

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Related Compounds

1-chloro-4-[1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-2-fluorobenzene
CID 123874382
2-fluoro-1-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propan-1-one
CID 56988629
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,2-difluoroethenyl]-1,3-difluoro-5-(4-propylcyclohexyl)benzene
CID 123945643
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene
CID 18681375
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
5-(4-butylcyclohexyl)-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-(4-methylcyclohexyl)benzene;1,2,3-trifluoro-5-(4-pentylcyclohexyl)benzene;1,2,3-trifluoro-5-(4-propylcyclohexyl)benzene
CID 161202701
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]prop-2-en-1-one
CID 19101207
ethane;phenyl 2-fluoro-4-(4-propylcyclohexyl)benzoate
CID 91162362
2-fluoro-4-(4-pentylcyclohexyl)benzoyl chloride
CID 54397331
2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]-1-[(3E,5E,7Z)-6,7,8-trifluoroocta-3,5,7-trien-4-yl]benzene
CID 130462328

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2,3-trifluorobenzene?
The IUPAC name of 5-[(Z)-1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2,3-trifluorobenzene (CID 89147445) is 5-[(Z)-1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2,3-trifluorobenzene.
What is the SMILES notation for 5-[(Z)-1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2,3-trifluorobenzene?
The canonical SMILES for 5-[(Z)-1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2,3-trifluorobenzene is CCCC1CCC(c2ccc(/C(F)=C(/F)c3cc(F)c(F)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 5-[(Z)-1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2,3-trifluorobenzene?
The InChIKey is UNXOAWQQIVWMCI-DQRAZIAOSA-N. The full InChI is InChI=1S/C23H22F6/c1-2-3-13-4-6-14(7-5-13)15-8-9-17(18(24)10-15)22(28)21(27)16-11-19(25)23(29)20(26)12-16/h8-14H,2-7H2,1H3/b22-21-.
What are the key properties of 5-[(Z)-1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2,3-trifluorobenzene?
5-[(Z)-1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2,3-trifluorobenzene has a molecular weight of 412.42 g/mol, XLogP of 8.08, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1,2-difluoro-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2,3-trifluorobenzene is sourced from PubChem (CID 89147445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).