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

C23H35F3 — CID 22373800

IUPAC1,2,3-trifluoro-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,4-diene
SMILESCCCC1CCC(C2CCC(CCC3(F)C=CCC(F)=C3F)CC2)CC1
InChIInChI=1S/C23H35F3/c1-2-4-17-6-10-19(11-7-17)20-12-8-18(9-13-20)14-16-23(26)15-3-5-21(24)22(23)25/h3,15,17-20H,2,4-14,16H2,1H3
InChIKeyGGEKRYMRXNZIEG-UHFFFAOYSA-N
MW368.53 g/mol
LogP8.00
Rot. Bonds6

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

1,2,3-trifluoro-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,4-diene (PubChem CID 22373800) has the molecular formula C23H35F3 and a molecular weight of 368.53 g/mol. Its IUPAC name is 1,2,3-trifluoro-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,4-diene.

Molecular Properties

Compound Name1,2,3-trifluoro-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,4-diene
PubChem CID22373800
Molecular FormulaC23H35F3
Molecular Weight368.53 g/mol
Exact Mass368.27
IUPAC Name1,2,3-trifluoro-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,4-diene
SMILESCCCC1CCC(C2CCC(CCC3(F)C=CCC(F)=C3F)CC2)CC1
InChIInChI=1S/C23H35F3/c1-2-4-17-6-10-19(11-7-17)20-12-8-18(9-13-20)14-16-23(26)15-3-5-21(24)22(23)25/h3,15,17-20H,2,4-14,16H2,1H3
InChIKeyGGEKRYMRXNZIEG-UHFFFAOYSA-N
XLogP8.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.53
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trifluoro-3-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,4-diene
CID 22373781
1,2,3-trifluoro-3-(4-heptylcyclohexyl)cyclohexa-1,4-diene
CID 18702610
1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 101074767
1-ethyl-5,5,6,6-tetrafluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,3-diene
CID 121476149
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-(difluoromethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18659073
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67847934
1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
CID 139850159
1,3-ditert-butyl-2-methyl-5-(4-propylcyclohexyl)cyclohexane
CID 158003690
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,4-diene?
The IUPAC name of 1,2,3-trifluoro-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,4-diene (CID 22373800) is 1,2,3-trifluoro-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,4-diene.
What is the SMILES notation for 1,2,3-trifluoro-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,4-diene?
The canonical SMILES for 1,2,3-trifluoro-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,4-diene is CCCC1CCC(C2CCC(CCC3(F)C=CCC(F)=C3F)CC2)CC1.
What is the InChIKey of 1,2,3-trifluoro-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,4-diene?
The InChIKey is GGEKRYMRXNZIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35F3/c1-2-4-17-6-10-19(11-7-17)20-12-8-18(9-13-20)14-16-23(26)15-3-5-21(24)22(23)25/h3,15,17-20H,2,4-14,16H2,1H3.
What are the key properties of 1,2,3-trifluoro-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,4-diene?
1,2,3-trifluoro-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,4-diene has a molecular weight of 368.53 g/mol, XLogP of 8.00, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,4-diene is sourced from PubChem (CID 22373800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).