1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene

C30H46F4 — CID 139763396

IUPAC1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene
SMILESCCCCCCCCCCCC1CCC(C2CCC(c3ccc(F)c(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C30H46F4/c1-2-3-4-5-6-7-8-9-10-11-23-12-14-24(15-13-23)25-16-18-26(19-17-25)27-20-21-29(31)28(22-27)30(32,33)34/h20-26H,2-19H2,1H3
InChIKeyLMMJEJQVVBVDNA-UHFFFAOYSA-N
MW482.69 g/mol
LogP10.85
Rot. Bonds12

About 1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene

1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene (PubChem CID 139763396) has the molecular formula C30H46F4 and a molecular weight of 482.69 g/mol. Its IUPAC name is 1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene
PubChem CID139763396
Molecular FormulaC30H46F4
Molecular Weight482.69 g/mol
Exact Mass482.35
IUPAC Name1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene
SMILESCCCCCCCCCCCC1CCC(C2CCC(c3ccc(F)c(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C30H46F4/c1-2-3-4-5-6-7-8-9-10-11-23-12-14-24(15-13-23)25-16-18-26(19-17-25)27-20-21-29(31)28(22-27)30(32,33)34/h20-26H,2-19H2,1H3
InChIKeyLMMJEJQVVBVDNA-UHFFFAOYSA-N
XLogP10.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.69
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 139763400
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene
CID 139850164
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 14985198
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline
CID 145234992
4-[4-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane
CID 54726532
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1-(difluoromethoxy)-2-fluoro-4-[4-(4-hexylcyclohexyl)cyclohexyl]benzene
CID 18659075
2-fluoro-4-(4-methoxycyclohexyl)-1-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 139457155
1,2-difluoro-4-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 54184964

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene (CID 139763396) is 1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene is CCCCCCCCCCCC1CCC(C2CCC(c3ccc(F)c(C(F)(F)F)c3)CC2)CC1.
What is the InChIKey of 1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene?
The InChIKey is LMMJEJQVVBVDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46F4/c1-2-3-4-5-6-7-8-9-10-11-23-12-14-24(15-13-23)25-16-18-26(19-17-25)27-20-21-29(31)28(22-27)30(32,33)34/h20-26H,2-19H2,1H3.
What are the key properties of 1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene?
1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene has a molecular weight of 482.69 g/mol, XLogP of 10.85, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 139763396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).