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

C32H48F2O2 — CID 59795168

IUPAC7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
SMILESCCCC1CCC(COc2cc3c(c(F)c2F)OC(C2CCC(C4CCC(C)CC4)CC2)CC3)CC1
InChIInChI=1S/C32H48F2O2/c1-3-4-22-7-9-23(10-8-22)20-35-29-19-27-17-18-28(36-32(27)31(34)30(29)33)26-15-13-25(14-16-26)24-11-5-21(2)6-12-24/h19,21-26,28H,3-18,20H2,1-2H3
InChIKeyBOZMUGBNRYMQDN-UHFFFAOYSA-N
MW502.73 g/mol
LogP9.28
Rot. Bonds7

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

7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene (PubChem CID 59795168) has the molecular formula C32H48F2O2 and a molecular weight of 502.73 g/mol. Its IUPAC name is 7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
PubChem CID59795168
Molecular FormulaC32H48F2O2
Molecular Weight502.73 g/mol
Exact Mass502.36
IUPAC Name7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
SMILESCCCC1CCC(COc2cc3c(c(F)c2F)OC(C2CCC(C4CCC(C)CC4)CC2)CC3)CC1
InChIInChI=1S/C32H48F2O2/c1-3-4-22-7-9-23(10-8-22)20-35-29-19-27-17-18-28(36-32(27)31(34)30(29)33)26-15-13-25(14-16-26)24-11-5-21(2)6-12-24/h19,21-26,28H,3-18,20H2,1-2H3
InChIKeyBOZMUGBNRYMQDN-UHFFFAOYSA-N
XLogP9.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.73
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-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
7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene
CID 90278325
7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 102471063
(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-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene
CID 59795281
7,8-difluoro-6-(3-fluoro-4-propylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
CID 59795489
1-(cyclopropylmethoxy)-2,3-difluoro-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 162428612
4-[4-[[7,8-difluoro-2-(methylideneamino)-3,4-dihydro-2H-chromen-6-yl]oxymethyl]cyclohexyl]cyclohexane-1-carbonitrile
CID 91575767
2,3-difluoro-1-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-4-[(4-methylcyclohexyl)methoxy]benzene;molecular hydrogen
CID 160962445
7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene
CID 59795102
1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromen-6-yl]propan-1-ol
CID 89242617
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-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene?
The IUPAC name of 7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene (CID 59795168) is 7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene?
The canonical SMILES for 7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene is CCCC1CCC(COc2cc3c(c(F)c2F)OC(C2CCC(C4CCC(C)CC4)CC2)CC3)CC1.
What is the InChIKey of 7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene?
The InChIKey is BOZMUGBNRYMQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48F2O2/c1-3-4-22-7-9-23(10-8-22)20-35-29-19-27-17-18-28(36-32(27)31(34)30(29)33)26-15-13-25(14-16-26)24-11-5-21(2)6-12-24/h19,21-26,28H,3-18,20H2,1-2H3.
What are the key properties of 7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene?
7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene has a molecular weight of 502.73 g/mol, XLogP of 9.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).