3-ethyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene

C22H23F3O — CID 141494647

IUPAC3-ethyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene
SMILESCCc1ccc2c(c1F)OC(F)(F)c1cc(C3CCC(C)CC3)ccc1-2
InChIInChI=1S/C22H23F3O/c1-3-14-8-11-18-17-10-9-16(15-6-4-13(2)5-7-15)12-19(17)22(24,25)26-21(18)20(14)23/h8-13,15H,3-7H2,1-2H3
InChIKeyLFXOVANAGLCCSK-UHFFFAOYSA-N
MW360.42 g/mol
LogP6.79
Rot. Bonds2

About 3-ethyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene

3-ethyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene (PubChem CID 141494647) has the molecular formula C22H23F3O and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-ethyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene.

Molecular Properties

Compound Name3-ethyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene
PubChem CID141494647
Molecular FormulaC22H23F3O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name3-ethyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene
SMILESCCc1ccc2c(c1F)OC(F)(F)c1cc(C3CCC(C)CC3)ccc1-2
InChIInChI=1S/C22H23F3O/c1-3-14-8-11-18-17-10-9-16(15-6-4-13(2)5-7-15)12-19(17)22(24,25)26-21(18)20(14)23/h8-13,15H,3-7H2,1-2H3
InChIKeyLFXOVANAGLCCSK-UHFFFAOYSA-N
XLogP6.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.42
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-decyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene
CID 141494403
8-(4-decylcyclohexyl)-4,6,6-trifluoro-3-heptylbenzo[c]chromene
CID 141494415
3-butyl-4,6,6-trifluoro-8-(4-octylcyclohexyl)benzo[c]chromene
CID 141494275
3-butyl-4,6,6-trifluoro-8-(4-heptylcyclohexyl)benzo[c]chromene
CID 141494524
4,6,6-trifluoro-8-(4-hexylcyclohexyl)-3-pentylbenzo[c]chromene
CID 141494388
4,6,6-trifluoro-8-(4-heptylcyclohexyl)-3-methylbenzo[c]chromene
CID 141494273
1-ethyl-2,3-difluoro-4-[[4-(4-methylcyclohexyl)phenyl]methyl]benzene
CID 91076031
4,6,6-trifluoro-8-(4-methylphenyl)-3-nonylbenzo[c]chromene
CID 141229997
3-butyl-4,6,6-trifluoro-8-(4-pentylphenyl)benzo[c]chromene
CID 141230061
9,9-dimethyl-2-(4-methylcyclohexyl)fluorene
CID 157150008
4,6,6-trifluoro-3-nonyl-8-(4-propylphenyl)benzo[c]chromene
CID 141230081
3-decyl-4-fluoro-8-(4-methylcyclohexyl)benzo[c]chromen-6-one
CID 141494490

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene?
The IUPAC name of 3-ethyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene (CID 141494647) is 3-ethyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene.
What is the SMILES notation for 3-ethyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene?
The canonical SMILES for 3-ethyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene is CCc1ccc2c(c1F)OC(F)(F)c1cc(C3CCC(C)CC3)ccc1-2.
What is the InChIKey of 3-ethyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene?
The InChIKey is LFXOVANAGLCCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3O/c1-3-14-8-11-18-17-10-9-16(15-6-4-13(2)5-7-15)12-19(17)22(24,25)26-21(18)20(14)23/h8-13,15H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene?
3-ethyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene has a molecular weight of 360.42 g/mol, XLogP of 6.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,6,6-trifluoro-8-(4-methylcyclohexyl)benzo[c]chromene is sourced from PubChem (CID 141494647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).