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

C26H38F2O2 — CID 59795181

IUPAC6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
SMILESCCCC1CCC(C2CCC(C3CCc4cc(OCC)c(F)c(F)c4O3)CC2)CC1
InChIInChI=1S/C26H38F2O2/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)22-15-14-21-16-23(29-4-2)24(27)25(28)26(21)30-22/h16-20,22H,3-15H2,1-2H3
InChIKeyYWQFLSACGKBURD-UHFFFAOYSA-N
MW420.58 g/mol
LogP7.47
Rot. Bonds6

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

6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene (PubChem CID 59795181) has the molecular formula C26H38F2O2 and a molecular weight of 420.58 g/mol. Its IUPAC name is 6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
PubChem CID59795181
Molecular FormulaC26H38F2O2
Molecular Weight420.58 g/mol
Exact Mass420.28
IUPAC Name6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
SMILESCCCC1CCC(C2CCC(C3CCc4cc(OCC)c(F)c(F)c4O3)CC2)CC1
InChIInChI=1S/C26H38F2O2/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)22-15-14-21-16-23(29-4-2)24(27)25(28)26(21)30-22/h16-20,22H,3-15H2,1-2H3
InChIKeyYWQFLSACGKBURD-UHFFFAOYSA-N
XLogP7.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-6-(3-fluoro-4-propylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
CID 59795489
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
6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene
CID 59795281
1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromen-6-yl]propan-1-ol
CID 89242617
3-(4-ethoxy-2,3-difluorophenyl)-6-[4-(4-propylcyclohexyl)cyclohexyl]oxan-2-one
CID 67957588
7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene
CID 59795102
1-(4-ethoxy-2,3-difluoro-6-methylphenyl)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethanol
CID 23118816
6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene
CID 59795337
2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene
CID 72563908
4-[4-[[7,8-difluoro-2-(methylideneamino)-3,4-dihydro-2H-chromen-6-yl]oxymethyl]cyclohexyl]cyclohexane-1-carbonitrile
CID 91575767

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene (CID 59795181) is 6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene is CCCC1CCC(C2CCC(C3CCc4cc(OCC)c(F)c(F)c4O3)CC2)CC1.
What is the InChIKey of 6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene?
The InChIKey is YWQFLSACGKBURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38F2O2/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)22-15-14-21-16-23(29-4-2)24(27)25(28)26(21)30-22/h16-20,22H,3-15H2,1-2H3.
What are the key properties of 6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene?
6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene has a molecular weight of 420.58 g/mol, XLogP of 7.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).