1-(2-fluoroethyl)-4-propoxycyclohexane;2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene;hydrofluoride

C30H48F4O2 — CID 158026848

IUPAC1-(2-fluoroethyl)-4-propoxycyclohexane;2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene;hydrofluoride
SMILESCCCOC1CCC(CCF)CC1.COc1ccc(C2CCC(C3CCC(F)CC3)CC2)cc1F.F
InChIInChI=1S/C19H26F2O.C11H21FO.FH/c1-22-19-11-8-16(12-18(19)21)15-4-2-13(3-5-15)14-6-9-17(20)10-7-14;1-2-9-13-11-5-3-10(4-6-11)7-8-12;/h8,11-15,17H,2-7,9-10H2,1H3;10-11H,2-9H2,1H3;1H
InChIKeyFGRYKULWUIFYGS-UHFFFAOYSA-N
MW516.70 g/mol
LogP9.12
Rot. Bonds8

About 1-(2-fluoroethyl)-4-propoxycyclohexane;2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene;hydrofluoride

1-(2-fluoroethyl)-4-propoxycyclohexane;2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene;hydrofluoride (PubChem CID 158026848) has the molecular formula C30H48F4O2 and a molecular weight of 516.70 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-propoxycyclohexane;2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene;hydrofluoride.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-propoxycyclohexane;2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene;hydrofluoride
PubChem CID158026848
Molecular FormulaC30H48F4O2
Molecular Weight516.70 g/mol
Exact Mass516.36
IUPAC Name1-(2-fluoroethyl)-4-propoxycyclohexane;2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene;hydrofluoride
SMILESCCCOC1CCC(CCF)CC1.COc1ccc(C2CCC(C3CCC(F)CC3)CC2)cc1F.F
InChIInChI=1S/C19H26F2O.C11H21FO.FH/c1-22-19-11-8-16(12-18(19)21)15-4-2-13(3-5-15)14-6-9-17(20)10-7-14;1-2-9-13-11-5-3-10(4-6-11)7-8-12;/h8,11-15,17H,2-7,9-10H2,1H3;10-11H,2-9H2,1H3;1H
InChIKeyFGRYKULWUIFYGS-UHFFFAOYSA-N
XLogP9.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.70
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-fluoroethyl)-4-propoxycyclohexane;2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene;hydrofluoride with MolForge

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Related Compounds

1-(difluoromethoxy)-2-fluoro-4-(4-fluorocyclohexyl)benzene;1-(2-fluoroethyl)-4-pentoxycyclohexane
CID 159053657
2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene
CID 18344262
1,2-difluoro-4-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]benzene
CID 67843257
2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde
CID 145059874
2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene
CID 70841823
1-(difluoromethoxy)-2-fluoro-4-[4-(4-hexylcyclohexyl)cyclohexyl]benzene
CID 18659075
2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 21263652
1-dodecoxy-2-fluoro-4-(4-propylcyclohexyl)benzene
CID 57028175
1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene
CID 57074379
2-fluoro-1-(1,1,2,2,3,3-hexafluoropropoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 22080061
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-heptoxybenzene
CID 67737369

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-propoxycyclohexane;2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene;hydrofluoride?
The IUPAC name of 1-(2-fluoroethyl)-4-propoxycyclohexane;2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene;hydrofluoride (CID 158026848) is 1-(2-fluoroethyl)-4-propoxycyclohexane;2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene;hydrofluoride.
What is the SMILES notation for 1-(2-fluoroethyl)-4-propoxycyclohexane;2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene;hydrofluoride?
The canonical SMILES for 1-(2-fluoroethyl)-4-propoxycyclohexane;2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene;hydrofluoride is CCCOC1CCC(CCF)CC1.COc1ccc(C2CCC(C3CCC(F)CC3)CC2)cc1F.F.
What is the InChIKey of 1-(2-fluoroethyl)-4-propoxycyclohexane;2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene;hydrofluoride?
The InChIKey is FGRYKULWUIFYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2O.C11H21FO.FH/c1-22-19-11-8-16(12-18(19)21)15-4-2-13(3-5-15)14-6-9-17(20)10-7-14;1-2-9-13-11-5-3-10(4-6-11)7-8-12;/h8,11-15,17H,2-7,9-10H2,1H3;10-11H,2-9H2,1H3;1H.
What are the key properties of 1-(2-fluoroethyl)-4-propoxycyclohexane;2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene;hydrofluoride?
1-(2-fluoroethyl)-4-propoxycyclohexane;2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene;hydrofluoride has a molecular weight of 516.70 g/mol, XLogP of 9.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-propoxycyclohexane;2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene;hydrofluoride is sourced from PubChem (CID 158026848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).