7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene

C23H31F2IO2 — CID 90278325

IUPAC7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene
SMILESCC1CCc2cc(OCC3CCC(C4CCC(I)CC4)CC3)c(F)c(F)c2O1
InChIInChI=1S/C23H31F2IO2/c1-14-2-5-18-12-20(21(24)22(25)23(18)28-14)27-13-15-3-6-16(7-4-15)17-8-10-19(26)11-9-17/h12,14-17,19H,2-11,13H2,1H3
InChIKeyXMEHHDZEYWSMTQ-UHFFFAOYSA-N
MW504.40 g/mol
LogP6.86
Rot. Bonds4

About 7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene

7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene (PubChem CID 90278325) has the molecular formula C23H31F2IO2 and a molecular weight of 504.40 g/mol. Its IUPAC name is 7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene
PubChem CID90278325
Molecular FormulaC23H31F2IO2
Molecular Weight504.40 g/mol
Exact Mass504.13
IUPAC Name7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene
SMILESCC1CCc2cc(OCC3CCC(C4CCC(I)CC4)CC3)c(F)c(F)c2O1
InChIInChI=1S/C23H31F2IO2/c1-14-2-5-18-12-20(21(24)22(25)23(18)28-14)27-13-15-3-6-16(7-4-15)17-8-10-19(26)11-9-17/h12,14-17,19H,2-11,13H2,1H3
InChIKeyXMEHHDZEYWSMTQ-UHFFFAOYSA-N
XLogP6.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.40
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 59795168
(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-methylcyclohexane-1-carboxylate;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;7,8-difluoro-2-methyl-6-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-3,4-dihydro-2H-chromene;tris(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;molecular hydrogen
CID 162132796
6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
CID 59795181
4-[4-[[7,8-difluoro-2-(methylideneamino)-3,4-dihydro-2H-chromen-6-yl]oxymethyl]cyclohexyl]cyclohexane-1-carbonitrile
CID 91575767
7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 102471063
6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene
CID 59795281
1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612
7,8-difluoro-6-[hydroperoxy-(4-methylcyclohexyl)methyl]-2-methyl-3,4-dihydro-2H-chromene;(7,8-difluoro-2-methyl-3,4-dihydro-2H-chromen-6-yl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;tetrakis(7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene);7,8-difluoro-6-methyl-2-[2-(4-methylcyclohexyl)ethyl]-3,4-dihydro-2H-chromene;7,8-difluoro-6-methyl-2-[(4-methylcyclohexyl)oxymethyl]-3,4-dihydro-2H-chromene;methane;molecular hydrogen
CID 159860631
2,3-difluoro-1-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-[(4-methylcyclohexyl)methoxy]benzene;molecular hydrogen
CID 160962445
6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene
CID 69234280
6-[2-(4-ethenylcyclohexyl)oxyethoxy]-7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene
CID 59795268
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67954958

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene (CID 90278325) is 7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene is CC1CCc2cc(OCC3CCC(C4CCC(I)CC4)CC3)c(F)c(F)c2O1.
What is the InChIKey of 7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene?
The InChIKey is XMEHHDZEYWSMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F2IO2/c1-14-2-5-18-12-20(21(24)22(25)23(18)28-14)27-13-15-3-6-16(7-4-15)17-8-10-19(26)11-9-17/h12,14-17,19H,2-11,13H2,1H3.
What are the key properties of 7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene?
7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene has a molecular weight of 504.40 g/mol, XLogP of 6.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 90278325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).