2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen

C25H38F2 — CID 159397311

IUPAC2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen
SMILESCCCC1CCC(C2CCC3CC(c4ccc(F)c(F)c4)CCC3C2)CC1.[H][H]
InChIInChI=1S/C25H36F2.H2/c1-2-3-17-4-6-18(7-5-17)19-8-9-21-15-22(11-10-20(21)14-19)23-12-13-24(26)25(27)16-23;/h12-13,16-22H,2-11,14-15H2,1H3;1H
InChIKeyLMWVLUJOBJHATK-UHFFFAOYSA-N
MW376.58 g/mol
LogP8.12
Rot. Bonds4

About 2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen

2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen (PubChem CID 159397311) has the molecular formula C25H38F2 and a molecular weight of 376.58 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen
PubChem CID159397311
Molecular FormulaC25H38F2
Molecular Weight376.58 g/mol
Exact Mass376.29
IUPAC Name2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen
SMILESCCCC1CCC(C2CCC3CC(c4ccc(F)c(F)c4)CCC3C2)CC1.[H][H]
InChIInChI=1S/C25H36F2.H2/c1-2-3-17-4-6-18(7-5-17)19-8-9-21-15-22(11-10-20(21)14-19)23-12-13-24(26)25(27)16-23;/h12-13,16-22H,2-11,14-15H2,1H3;1H
InChIKeyLMWVLUJOBJHATK-UHFFFAOYSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.58
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 158855287
2-(3-fluoro-4-propylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837027
2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22385286
2-[4-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867569
1,2-difluoro-4-[(4R,5R)-2,2,3,3,5,6-hexadeuterio-4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 173275885
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384304
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
1,2-difluoro-4-(3-propylcyclobutyl)benzene
CID 19387615
1,2-difluoro-4-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]benzene
CID 67843257
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen?
The IUPAC name of 2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen (CID 159397311) is 2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen.
What is the SMILES notation for 2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen?
The canonical SMILES for 2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen is CCCC1CCC(C2CCC3CC(c4ccc(F)c(F)c4)CCC3C2)CC1.[H][H].
What is the InChIKey of 2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen?
The InChIKey is LMWVLUJOBJHATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36F2.H2/c1-2-3-17-4-6-18(7-5-17)19-8-9-21-15-22(11-10-20(21)14-19)23-12-13-24(26)25(27)16-23;/h12-13,16-22H,2-11,14-15H2,1H3;1H.
What are the key properties of 2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen?
2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen has a molecular weight of 376.58 g/mol, XLogP of 8.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen is sourced from PubChem (CID 159397311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).