4,5-difluoro-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,3-diene

C23H36F2 — CID 126627033

IUPAC4,5-difluoro-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,3-diene
SMILESCCCC1CCC(CCC2CCC(C3=CC=C(F)C(F)C3)CC2)CC1
InChIInChI=1S/C23H36F2/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-12-20(13-11-19)21-14-15-22(24)23(25)16-21/h14-15,17-20,23H,2-13,16H2,1H3
InChIKeyXXDDXAPRVYQCNR-UHFFFAOYSA-N
MW350.54 g/mol
LogP7.70
Rot. Bonds6

About 4,5-difluoro-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,3-diene

4,5-difluoro-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,3-diene (PubChem CID 126627033) has the molecular formula C23H36F2 and a molecular weight of 350.54 g/mol. Its IUPAC name is 4,5-difluoro-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name4,5-difluoro-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,3-diene
PubChem CID126627033
Molecular FormulaC23H36F2
Molecular Weight350.54 g/mol
Exact Mass350.28
IUPAC Name4,5-difluoro-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,3-diene
SMILESCCCC1CCC(CCC2CCC(C3=CC=C(F)C(F)C3)CC2)CC1
InChIInChI=1S/C23H36F2/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-12-20(13-11-19)21-14-15-22(24)23(25)16-21/h14-15,17-20,23H,2-13,16H2,1H3
InChIKeyXXDDXAPRVYQCNR-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.54
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
CID 155784456
1-chloro-4-(4-propylcyclohexyl)cyclohexa-1,3-diene
CID 138493357
6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene
CID 139961519
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
CID 22731669
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
2-[difluoro(iodo)methyl]-1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 20654197
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene
CID 123149803
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-one
CID 163558622
5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
CID 139945530
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
(4-propylcyclohexyl)benzene
CID 155887669

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,3-diene?
The IUPAC name of 4,5-difluoro-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,3-diene (CID 126627033) is 4,5-difluoro-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,3-diene.
What is the SMILES notation for 4,5-difluoro-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,3-diene?
The canonical SMILES for 4,5-difluoro-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,3-diene is CCCC1CCC(CCC2CCC(C3=CC=C(F)C(F)C3)CC2)CC1.
What is the InChIKey of 4,5-difluoro-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,3-diene?
The InChIKey is XXDDXAPRVYQCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36F2/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-12-20(13-11-19)21-14-15-22(24)23(25)16-21/h14-15,17-20,23H,2-13,16H2,1H3.
What are the key properties of 4,5-difluoro-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,3-diene?
4,5-difluoro-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,3-diene has a molecular weight of 350.54 g/mol, XLogP of 7.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,3-diene is sourced from PubChem (CID 126627033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).