4,5-difluoro-2-(4-propylcyclohexyl)-8,9-dihydro-7H-furo[3,2-f]chromene

C20H24F2O2 — CID 59215267

IUPAC4,5-difluoro-2-(4-propylcyclohexyl)-8,9-dihydro-7H-furo[3,2-f]chromene
SMILESCCCC1CCC(c2cc3c4c(c(F)c(F)c3o2)OCCC4)CC1
InChIInChI=1S/C20H24F2O2/c1-2-4-12-6-8-13(9-7-12)16-11-15-14-5-3-10-23-19(14)17(21)18(22)20(15)24-16/h11-13H,2-10H2,1H3
InChIKeyNODXGRCIQMSVNX-UHFFFAOYSA-N
MW334.41 g/mol
LogP6.11
Rot. Bonds3

About 4,5-difluoro-2-(4-propylcyclohexyl)-8,9-dihydro-7H-furo[3,2-f]chromene

4,5-difluoro-2-(4-propylcyclohexyl)-8,9-dihydro-7H-furo[3,2-f]chromene (PubChem CID 59215267) has the molecular formula C20H24F2O2 and a molecular weight of 334.41 g/mol. Its IUPAC name is 4,5-difluoro-2-(4-propylcyclohexyl)-8,9-dihydro-7H-furo[3,2-f]chromene.

Molecular Properties

Compound Name4,5-difluoro-2-(4-propylcyclohexyl)-8,9-dihydro-7H-furo[3,2-f]chromene
PubChem CID59215267
Molecular FormulaC20H24F2O2
Molecular Weight334.41 g/mol
Exact Mass334.17
IUPAC Name4,5-difluoro-2-(4-propylcyclohexyl)-8,9-dihydro-7H-furo[3,2-f]chromene
SMILESCCCC1CCC(c2cc3c4c(c(F)c(F)c3o2)OCCC4)CC1
InChIInChI=1S/C20H24F2O2/c1-2-4-12-6-8-13(9-7-12)16-11-15-14-5-3-10-23-19(14)17(21)18(22)20(15)24-16/h11-13H,2-10H2,1H3
InChIKeyNODXGRCIQMSVNX-UHFFFAOYSA-N
XLogP6.11
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.41
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene
CID 69236520
4,6-difluoro-3-(4-propylcyclohexyl)-7-(trifluoromethyl)dibenzofuran
CID 134521717
7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
CID 59795335
6,7-difluoro-4-(4-propylcyclohexyl)-2,3-dihydroinden-1-one
CID 122523204
4,5-difluoro-2,7-dipropylfuro[3,2-e][1]benzofuran;4,5-difluoro-2,7-dipropyl-1,2,7,8-tetrahydrofuro[3,2-e][1]benzofuran
CID 162214734
2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene
CID 59795280
5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 141290235
1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 71202451
3-butyl-4-fluoro-8-(4-propylcyclohexyl)benzo[c]chromene-6-thione
CID 141494237
2-(4-propylcyclohexyl)furan
CID 174853183
1,3,4-trifluoro-2-methyl-5-(4-propylcyclohexyl)benzene
CID 18635056
1-ethynyl-4-(4-propylcyclohexyl)cyclohexane;2-fluoro-6-iodo-4-methylphenol;7-fluoro-5-methyl-2-[4-(4-propylcyclohexyl)cyclohexyl]-1-benzofuran
CID 157180246

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-(4-propylcyclohexyl)-8,9-dihydro-7H-furo[3,2-f]chromene?
The IUPAC name of 4,5-difluoro-2-(4-propylcyclohexyl)-8,9-dihydro-7H-furo[3,2-f]chromene (CID 59215267) is 4,5-difluoro-2-(4-propylcyclohexyl)-8,9-dihydro-7H-furo[3,2-f]chromene.
What is the SMILES notation for 4,5-difluoro-2-(4-propylcyclohexyl)-8,9-dihydro-7H-furo[3,2-f]chromene?
The canonical SMILES for 4,5-difluoro-2-(4-propylcyclohexyl)-8,9-dihydro-7H-furo[3,2-f]chromene is CCCC1CCC(c2cc3c4c(c(F)c(F)c3o2)OCCC4)CC1.
What is the InChIKey of 4,5-difluoro-2-(4-propylcyclohexyl)-8,9-dihydro-7H-furo[3,2-f]chromene?
The InChIKey is NODXGRCIQMSVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2O2/c1-2-4-12-6-8-13(9-7-12)16-11-15-14-5-3-10-23-19(14)17(21)18(22)20(15)24-16/h11-13H,2-10H2,1H3.
What are the key properties of 4,5-difluoro-2-(4-propylcyclohexyl)-8,9-dihydro-7H-furo[3,2-f]chromene?
4,5-difluoro-2-(4-propylcyclohexyl)-8,9-dihydro-7H-furo[3,2-f]chromene has a molecular weight of 334.41 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-(4-propylcyclohexyl)-8,9-dihydro-7H-furo[3,2-f]chromene is sourced from PubChem (CID 59215267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).