1-cyclopropyl-3-fluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene

C23H30F4 — CID 145154508

IUPAC1-cyclopropyl-3-fluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
SMILESCC1CCC(C2CCC(c3cc(F)c(C(F)(F)F)c(C4CC4)c3)CC2)CC1
InChIInChI=1S/C23H30F4/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)19-12-20(18-10-11-18)22(21(24)13-19)23(25,26)27/h12-18H,2-11H2,1H3
InChIKeyPZXFAXNSCQZKAI-UHFFFAOYSA-N
MW382.49 g/mol
LogP7.82
Rot. Bonds3

About 1-cyclopropyl-3-fluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene

1-cyclopropyl-3-fluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene (PubChem CID 145154508) has the molecular formula C23H30F4 and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-cyclopropyl-3-fluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-cyclopropyl-3-fluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
PubChem CID145154508
Molecular FormulaC23H30F4
Molecular Weight382.49 g/mol
Exact Mass382.23
IUPAC Name1-cyclopropyl-3-fluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
SMILESCC1CCC(C2CCC(c3cc(F)c(C(F)(F)F)c(C4CC4)c3)CC2)CC1
InChIInChI=1S/C23H30F4/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)19-12-20(18-10-11-18)22(21(24)13-19)23(25,26)27/h12-18H,2-11H2,1H3
InChIKeyPZXFAXNSCQZKAI-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(4-cyclohexylcyclohexyl)-1,3-difluoro-2-(trifluoromethyl)benzene
CID 162547060
2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol
CID 71101076
1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]-2-(trifluoromethyl)benzene
CID 67589506
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 134509872
1,3-difluoro-5-(4-methylcyclohexyl)-2-(trifluoromethoxy)benzene
CID 20591337
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 122472506
5-[4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]cyclohexyl]-1,2,3-trifluorobenzene
CID 144902461
2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexyl]-6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868571
2-[bromo(difluoro)methyl]-1,3-difluoro-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 20654003
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20654099
2-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 20653816

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-fluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1-cyclopropyl-3-fluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene (CID 145154508) is 1-cyclopropyl-3-fluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-cyclopropyl-3-fluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-cyclopropyl-3-fluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene is CC1CCC(C2CCC(c3cc(F)c(C(F)(F)F)c(C4CC4)c3)CC2)CC1.
What is the InChIKey of 1-cyclopropyl-3-fluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene?
The InChIKey is PZXFAXNSCQZKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F4/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)19-12-20(18-10-11-18)22(21(24)13-19)23(25,26)27/h12-18H,2-11H2,1H3.
What are the key properties of 1-cyclopropyl-3-fluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene?
1-cyclopropyl-3-fluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene has a molecular weight of 382.49 g/mol, XLogP of 7.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-fluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 145154508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).