1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene

C23H25F3O — CID 134465092

IUPAC1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene
SMILESCCCC1CCC(COc2ccc3c(c2F)-c2c-3cc(C)c(F)c2F)CC1
InChIInChI=1S/C23H25F3O/c1-3-4-14-5-7-15(8-6-14)12-27-18-10-9-16-17-11-13(2)21(24)23(26)20(17)19(16)22(18)25/h9-11,14-15H,3-8,12H2,1-2H3
InChIKeyRJNUABOXYGSMNB-UHFFFAOYSA-N
MW374.45 g/mol
LogP7.05
Rot. Bonds5

About 1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene

1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene (PubChem CID 134465092) has the molecular formula C23H25F3O and a molecular weight of 374.45 g/mol. Its IUPAC name is 1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene.

Molecular Properties

Compound Name1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene
PubChem CID134465092
Molecular FormulaC23H25F3O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene
SMILESCCCC1CCC(COc2ccc3c(c2F)-c2c-3cc(C)c(F)c2F)CC1
InChIInChI=1S/C23H25F3O/c1-3-4-14-5-7-15(8-6-14)12-27-18-10-9-16-17-11-13(2)21(24)23(26)20(17)19(16)22(18)25/h9-11,14-15H,3-8,12H2,1-2H3
InChIKeyRJNUABOXYGSMNB-UHFFFAOYSA-N
XLogP7.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.45
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(cyclohexylmethoxy)-1,2,8-trifluoro-7-[(4-propylcyclohexyl)methoxy]biphenylene
CID 134473076
3,4,5-trifluoro-6-[(4-propylcyclohexyl)methoxy]biphenylen-2-ol
CID 134473056
1,2,8-trifluoro-7-[(4-pentylcyclohexyl)methoxy]-3-propylbiphenylene
CID 134465089
7-[difluoro-(4-pentylcyclohexyl)methoxy]-1,2,8-trifluoro-3-methylbiphenylene
CID 134465107
2-[4-[(2,3-difluoro-4-methylphenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967271
1-[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene
CID 58953361
2-(cyclopentylmethoxy)-1,7,8-trifluorobiphenylene
CID 134473145
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde
CID 102522412
2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzonitrile
CID 23052003
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67954958
2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane
CID 145011796

Frequently Asked Questions

What is the IUPAC name of 1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene?
The IUPAC name of 1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene (CID 134465092) is 1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene.
What is the SMILES notation for 1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene?
The canonical SMILES for 1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene is CCCC1CCC(COc2ccc3c(c2F)-c2c-3cc(C)c(F)c2F)CC1.
What is the InChIKey of 1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene?
The InChIKey is RJNUABOXYGSMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3O/c1-3-4-14-5-7-15(8-6-14)12-27-18-10-9-16-17-11-13(2)21(24)23(26)20(17)19(16)22(18)25/h9-11,14-15H,3-8,12H2,1-2H3.
What are the key properties of 1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene?
1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene has a molecular weight of 374.45 g/mol, XLogP of 7.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8-trifluoro-3-methyl-7-[(4-propylcyclohexyl)methoxy]biphenylene is sourced from PubChem (CID 134465092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).