4-[4-(2-cyclohexylethyl)cyclohexyl]-1,2-difluorobenzene;rhenium

C20H27F2Re- — CID 163819599

IUPAC4-[4-(2-cyclohexylethyl)cyclohexyl]-1,2-difluorobenzene;rhenium
SMILESFc1ccc(C2CCC(CCC3CC[CH-]CC3)CC2)cc1F.[Re]
InChIInChI=1S/C20H27F2.Re/c21-19-13-12-18(14-20(19)22)17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15;/h1,12-17H,2-11H2;/q-1;
InChIKeyVFSPRXVEEMZYTH-UHFFFAOYSA-N
MW491.64 g/mol
LogP6.41
Rot. Bonds4

About 4-[4-(2-cyclohexylethyl)cyclohexyl]-1,2-difluorobenzene;rhenium

4-[4-(2-cyclohexylethyl)cyclohexyl]-1,2-difluorobenzene;rhenium (PubChem CID 163819599) has the molecular formula C20H27F2Re- and a molecular weight of 491.64 g/mol. Its IUPAC name is 4-[4-(2-cyclohexylethyl)cyclohexyl]-1,2-difluorobenzene;rhenium.

Molecular Properties

Compound Name4-[4-(2-cyclohexylethyl)cyclohexyl]-1,2-difluorobenzene;rhenium
PubChem CID163819599
Molecular FormulaC20H27F2Re-
Molecular Weight491.64 g/mol
Exact Mass492.16
IUPAC Name4-[4-(2-cyclohexylethyl)cyclohexyl]-1,2-difluorobenzene;rhenium
SMILESFc1ccc(C2CCC(CCC3CC[CH-]CC3)CC2)cc1F.[Re]
InChIInChI=1S/C20H27F2.Re/c21-19-13-12-18(14-20(19)22)17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15;/h1,12-17H,2-11H2;/q-1;
InChIKeyVFSPRXVEEMZYTH-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 56.41
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

1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
1,2-difluoro-4-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]benzene
CID 67843257
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444
CID 22924529
CID 22924529
1,2-difluoro-4-[4-[2-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19695333
2-[4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexyl]ethyl-trimethylsilane
CID 20683498
1,2-difluoro-4-[4-[2-[4-(4-prop-1-enylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]benzene
CID 54158717
1,2-difluoro-4-[4-(6-fluorohex-5-enyl)cyclohexyl]benzene
CID 54333398
(Z)-3-[4-[2-[4-(3,4-difluorophenyl)cyclohexyl]ethyl]cyclohexyl]-2-fluoroprop-2-enenitrile
CID 67589703

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclohexylethyl)cyclohexyl]-1,2-difluorobenzene;rhenium?
The IUPAC name of 4-[4-(2-cyclohexylethyl)cyclohexyl]-1,2-difluorobenzene;rhenium (CID 163819599) is 4-[4-(2-cyclohexylethyl)cyclohexyl]-1,2-difluorobenzene;rhenium.
What is the SMILES notation for 4-[4-(2-cyclohexylethyl)cyclohexyl]-1,2-difluorobenzene;rhenium?
The canonical SMILES for 4-[4-(2-cyclohexylethyl)cyclohexyl]-1,2-difluorobenzene;rhenium is Fc1ccc(C2CCC(CCC3CC[CH-]CC3)CC2)cc1F.[Re].
What is the InChIKey of 4-[4-(2-cyclohexylethyl)cyclohexyl]-1,2-difluorobenzene;rhenium?
The InChIKey is VFSPRXVEEMZYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2.Re/c21-19-13-12-18(14-20(19)22)17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15;/h1,12-17H,2-11H2;/q-1;.
What are the key properties of 4-[4-(2-cyclohexylethyl)cyclohexyl]-1,2-difluorobenzene;rhenium?
4-[4-(2-cyclohexylethyl)cyclohexyl]-1,2-difluorobenzene;rhenium has a molecular weight of 491.64 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyclohexylethyl)cyclohexyl]-1,2-difluorobenzene;rhenium is sourced from PubChem (CID 163819599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).