2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene

C34H50F2O — CID 72563908

IUPAC2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene
SMILESCCCC1CCC(C2CCC(C3CCC(C=Cc4cc5c(c(F)c4F)OC(CC)CC5)CC3)CC2)CC1
InChIInChI=1S/C34H50F2O/c1-3-5-23-6-11-25(12-7-23)27-16-18-28(19-17-27)26-13-8-24(9-14-26)10-15-29-22-30-20-21-31(4-2)37-34(30)33(36)32(29)35/h10,15,22-28,31H,3-9,11-14,16-21H2,1-2H3
InChIKeyKMJRAMBOAXAYEC-UHFFFAOYSA-N
MW512.77 g/mol
LogP10.30
Rot. Bonds7

About 2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene

2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene (PubChem CID 72563908) has the molecular formula C34H50F2O and a molecular weight of 512.77 g/mol. Its IUPAC name is 2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene
PubChem CID72563908
Molecular FormulaC34H50F2O
Molecular Weight512.77 g/mol
Exact Mass512.38
IUPAC Name2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene
SMILESCCCC1CCC(C2CCC(C3CCC(C=Cc4cc5c(c(F)c4F)OC(CC)CC5)CC3)CC2)CC1
InChIInChI=1S/C34H50F2O/c1-3-5-23-6-11-25(12-7-23)27-16-18-28(19-17-27)26-13-8-24(9-14-26)10-15-29-22-30-20-21-31(4-2)37-34(30)33(36)32(29)35/h10,15,22-28,31H,3-9,11-14,16-21H2,1-2H3
InChIKeyKMJRAMBOAXAYEC-UHFFFAOYSA-N
XLogP10.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.77
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene with MolForge

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Related Compounds

2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene
CID 59795280
2-[2-(4-ethylcyclohexyl)ethyl]-7,8-difluoro-6-(4-prop-1-enylcyclohexyl)-3,4-dihydro-2H-chromene
CID 72563900
(2Z)-7,8-difluoro-2-(1-fluoro-2-methoxyprop-2-enylidene)-3-methylidene-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-4H-chromene
CID 144733972
1-[2-[2-[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]-7,8-difluoro-3,4-dihydro-2H-chromen-6-yl]ethanol
CID 71065539
6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
CID 59795181
1,2-difluoro-4-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene
CID 54320850
7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene
CID 69236520
7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
CID 59795335
2-ethoxy-3,4,5-trifluoro-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-9H-xanthene
CID 118891426
7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 59795168
3-(difluoromethyl)-1-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
CID 58953303
1,2,3-trifluoro-5-[(E)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-en-1-ynyl]benzene
CID 18657050

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene (CID 72563908) is 2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene is CCCC1CCC(C2CCC(C3CCC(C=Cc4cc5c(c(F)c4F)OC(CC)CC5)CC3)CC2)CC1.
What is the InChIKey of 2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene?
The InChIKey is KMJRAMBOAXAYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50F2O/c1-3-5-23-6-11-25(12-7-23)27-16-18-28(19-17-27)26-13-8-24(9-14-26)10-15-29-22-30-20-21-31(4-2)37-34(30)33(36)32(29)35/h10,15,22-28,31H,3-9,11-14,16-21H2,1-2H3.
What are the key properties of 2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene?
2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene has a molecular weight of 512.77 g/mol, XLogP of 10.30, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 72563908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).