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

C33H43F3O — CID 59795489

IUPAC7,8-difluoro-6-(3-fluoro-4-propylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
SMILESCCCc1ccc(-c2cc3c(c(F)c2F)OC(C2CCC(C4CCC(CCC)CC4)CC2)CC3)cc1F
InChIInChI=1S/C33H43F3O/c1-3-5-21-7-9-22(10-8-21)23-11-14-25(15-12-23)30-18-17-27-19-28(31(35)32(36)33(27)37-30)26-16-13-24(6-4-2)29(34)20-26/h13,16,19-23,25,30H,3-12,14-15,17-18H2,1-2H3
InChIKeyAICCBIBTKOFQCG-UHFFFAOYSA-N
MW512.70 g/mol
LogP9.83
Rot. Bonds7

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

7,8-difluoro-6-(3-fluoro-4-propylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene (PubChem CID 59795489) has the molecular formula C33H43F3O and a molecular weight of 512.70 g/mol. Its IUPAC name is 7,8-difluoro-6-(3-fluoro-4-propylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7,8-difluoro-6-(3-fluoro-4-propylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
PubChem CID59795489
Molecular FormulaC33H43F3O
Molecular Weight512.70 g/mol
Exact Mass512.33
IUPAC Name7,8-difluoro-6-(3-fluoro-4-propylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
SMILESCCCc1ccc(-c2cc3c(c(F)c2F)OC(C2CCC(C4CCC(CCC)CC4)CC2)CC3)cc1F
InChIInChI=1S/C33H43F3O/c1-3-5-21-7-9-22(10-8-21)23-11-14-25(15-12-23)30-18-17-27-19-28(31(35)32(36)33(27)37-30)26-16-13-24(6-4-2)29(34)20-26/h13,16,19-23,25,30H,3-12,14-15,17-18H2,1-2H3
InChIKeyAICCBIBTKOFQCG-UHFFFAOYSA-N
XLogP9.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
CID 59795181
7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene
CID 59795102
7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 59795168
2-[4-(4-ethylcyclohexyl)cyclohexyl]-7-fluoro-6-propyl-3,4-dihydro-2H-chromene
CID 59795236
2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 58535595
2,3-difluoro-1-[3-fluoro-4-[(E)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]phenyl]-4-methoxybenzene
CID 118886119
2-fluoro-4-[4-(2-fluoroethyl)phenyl]-1-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 21265276
2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene
CID 154607322
6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene
CID 69234280
2-(3-fluoro-4-propylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837027
1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromen-6-yl]propan-1-ol
CID 89242617
6-butyl-2-[4-(3,3-difluoropropyl)cyclohexyl]-8-fluoro-3,4-dihydro-2H-chromene
CID 58660755

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-6-(3-fluoro-4-propylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 7,8-difluoro-6-(3-fluoro-4-propylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene (CID 59795489) is 7,8-difluoro-6-(3-fluoro-4-propylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7,8-difluoro-6-(3-fluoro-4-propylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 7,8-difluoro-6-(3-fluoro-4-propylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene is CCCc1ccc(-c2cc3c(c(F)c2F)OC(C2CCC(C4CCC(CCC)CC4)CC2)CC3)cc1F.
What is the InChIKey of 7,8-difluoro-6-(3-fluoro-4-propylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene?
The InChIKey is AICCBIBTKOFQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43F3O/c1-3-5-21-7-9-22(10-8-21)23-11-14-25(15-12-23)30-18-17-27-19-28(31(35)32(36)33(27)37-30)26-16-13-24(6-4-2)29(34)20-26/h13,16,19-23,25,30H,3-12,14-15,17-18H2,1-2H3.
What are the key properties of 7,8-difluoro-6-(3-fluoro-4-propylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene?
7,8-difluoro-6-(3-fluoro-4-propylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene has a molecular weight of 512.70 g/mol, XLogP of 9.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-6-(3-fluoro-4-propylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).