2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen

C27H36F4 — CID 158855287

IUPAC2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
SMILESCCCC1CCC(C2CCC(c3cc(F)c(-c4ccc(F)c(F)c4)c(F)c3)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C27H32F4.2H2/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)22-15-25(30)27(26(31)16-22)21-12-13-23(28)24(29)14-21;;/h12-20H,2-11H2,1H3;2*1H
InChIKeyIZYWUTKISICVGL-UHFFFAOYSA-N
MW436.58 g/mol
LogP9.28
Rot. Bonds5

About 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen

2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen (PubChem CID 158855287) has the molecular formula C27H36F4 and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
PubChem CID158855287
Molecular FormulaC27H36F4
Molecular Weight436.58 g/mol
Exact Mass436.28
IUPAC Name2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
SMILESCCCC1CCC(C2CCC(c3cc(F)c(-c4ccc(F)c(F)c4)c(F)c3)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C27H32F4.2H2/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)22-15-25(30)27(26(31)16-22)21-12-13-23(28)24(29)14-21;;/h12-20H,2-11H2,1H3;2*1H
InChIKeyIZYWUTKISICVGL-UHFFFAOYSA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22385286
2-butyl-6-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383401
2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen
CID 159397311
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene
CID 163495624
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
CID 22731669
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384679
2-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]-3,5-difluorophenyl]-1,3-difluoro-5-(4-propylcyclohexyl)benzene
CID 59247704
5-[4-(4-butylcyclohexyl)cyclohexyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene
CID 122469922
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 15041745

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen?
The IUPAC name of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen (CID 158855287) is 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen?
The canonical SMILES for 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen is CCCC1CCC(C2CCC(c3cc(F)c(-c4ccc(F)c(F)c4)c(F)c3)CC2)CC1.[H][H].[H][H].
What is the InChIKey of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen?
The InChIKey is IZYWUTKISICVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F4.2H2/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)22-15-25(30)27(26(31)16-22)21-12-13-23(28)24(29)14-21;;/h12-20H,2-11H2,1H3;2*1H.
What are the key properties of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen?
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen has a molecular weight of 436.58 g/mol, XLogP of 9.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen is sourced from PubChem (CID 158855287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).