3-chloro-2-fluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;rubidium(1+)

C19H19ClFRb — CID 58058767

IUPAC3-chloro-2-fluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;rubidium(1+)
SMILESCC1CCC(c2ccc(-c3cc[c-]cc3)c(Cl)c2F)CC1.[Rb+]
InChIInChI=1S/C19H19ClF.Rb/c1-13-7-9-15(10-8-13)17-12-11-16(18(20)19(17)21)14-5-3-2-4-6-14;/h3-6,11-13,15H,7-10H2,1H3;/q-1;+1
InChIKeyKHRNZNMWHRLLAP-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.24
Rot. Bonds2

About 3-chloro-2-fluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;rubidium(1+)

3-chloro-2-fluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;rubidium(1+) (PubChem CID 58058767) has the molecular formula C19H19ClFRb and a molecular weight of 387.28 g/mol. Its IUPAC name is 3-chloro-2-fluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;rubidium(1+).

Molecular Properties

Compound Name3-chloro-2-fluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;rubidium(1+)
PubChem CID58058767
Molecular FormulaC19H19ClFRb
Molecular Weight387.28 g/mol
Exact Mass386.03
IUPAC Name3-chloro-2-fluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;rubidium(1+)
SMILESCC1CCC(c2ccc(-c3cc[c-]cc3)c(Cl)c2F)CC1.[Rb+]
InChIInChI=1S/C19H19ClF.Rb/c1-13-7-9-15(10-8-13)17-12-11-16(18(20)19(17)21)14-5-3-2-4-6-14;/h3-6,11-13,15H,7-10H2,1H3;/q-1;+1
InChIKeyKHRNZNMWHRLLAP-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[3-chloro-2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]oxirane
CID 89145667
3-chloro-2-fluoro-4-(4-methylcyclohexyl)aniline
CID 90936295
2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene;2,3-difluoro-1-methyl-4-(4-methylphenyl)benzene
CID 157170192
1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene
CID 123193777
3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen
CID 158037623
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 129065279
1-(4-cyclohexylphenyl)-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 126693080
[4-(4-ethenylcyclohexyl)cyclohexyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methylbenzene;1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-methylbenzene;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;yttrium
CID 161483988
2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylcyclohexyl)benzene
CID 58987197
1-cyclohexyl-4-methylcyclohexane;2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;2,3-difluoro-4-(4-methylcyclohexyl)phenol;2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]phenol;2,3-difluoro-4-(4-methylphenyl)phenol;2,3-difluoro-1-(4-methylphenyl)-4-phenylbenzene;4-[4-(4-methylcyclohexyl)cyclohexyl]phenol;4-(4-methylcyclohexyl)phenol;octakis(yttrium)
CID 162055480
[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite
CID 143863856
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene
CID 129171181

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;rubidium(1+)?
The IUPAC name of 3-chloro-2-fluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;rubidium(1+) (CID 58058767) is 3-chloro-2-fluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;rubidium(1+).
What is the SMILES notation for 3-chloro-2-fluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;rubidium(1+)?
The canonical SMILES for 3-chloro-2-fluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;rubidium(1+) is CC1CCC(c2ccc(-c3cc[c-]cc3)c(Cl)c2F)CC1.[Rb+].
What is the InChIKey of 3-chloro-2-fluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;rubidium(1+)?
The InChIKey is KHRNZNMWHRLLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF.Rb/c1-13-7-9-15(10-8-13)17-12-11-16(18(20)19(17)21)14-5-3-2-4-6-14;/h3-6,11-13,15H,7-10H2,1H3;/q-1;+1.
What are the key properties of 3-chloro-2-fluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;rubidium(1+)?
3-chloro-2-fluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;rubidium(1+) has a molecular weight of 387.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-1-(4-methylcyclohexyl)-4-phenylbenzene;rubidium(1+) is sourced from PubChem (CID 58058767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).