2-decan-2-yloxy-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C31H50F2O — CID 20683472

IUPAC2-decan-2-yloxy-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCCCCCCC(C)Oc1c(F)cc(C2CCC(C3CCC(CCC)CC3)CC2)cc1F
InChIInChI=1S/C31H50F2O/c1-4-6-7-8-9-10-12-23(3)34-31-29(32)21-28(22-30(31)33)27-19-17-26(18-20-27)25-15-13-24(11-5-2)14-16-25/h21-27H,4-20H2,1-3H3
InChIKeyUQGPKXYOSBQCKL-UHFFFAOYSA-N
MW476.74 g/mol
LogP10.36
Rot. Bonds13

About 2-decan-2-yloxy-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene

2-decan-2-yloxy-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 20683472) has the molecular formula C31H50F2O and a molecular weight of 476.74 g/mol. Its IUPAC name is 2-decan-2-yloxy-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name2-decan-2-yloxy-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID20683472
Molecular FormulaC31H50F2O
Molecular Weight476.74 g/mol
Exact Mass476.38
IUPAC Name2-decan-2-yloxy-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESCCCCCCCCC(C)Oc1c(F)cc(C2CCC(C3CCC(CCC)CC3)CC2)cc1F
InChIInChI=1S/C31H50F2O/c1-4-6-7-8-9-10-12-23(3)34-31-29(32)21-28(22-30(31)33)27-19-17-26(18-20-27)25-15-13-24(11-5-2)14-16-25/h21-27H,4-20H2,1-3H3
InChIKeyUQGPKXYOSBQCKL-UHFFFAOYSA-N
XLogP10.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.74
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-difluoro-4-nonan-2-yloxyphenyl)-1-(4-heptylcyclohexyl)silinane
CID 173310554
1,3-difluoro-2-hexan-2-yloxy-5-(4-propan-2-ylcyclohexyl)benzene
CID 143772778
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenol;octane
CID 145464110
1,3-difluoro-2-hexa-3,5-diyn-2-yloxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 59734850
2-[4-(difluoromethoxy)-3,5-difluorophenyl]-6-(4-heptylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837246
2,3-difluoro-1-[(2R)-heptan-2-yl]oxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134474882
2-butyl-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67847934
2-(4-butylcyclohexyl)-6-[4-(difluoromethoxy)-3,5-difluorophenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837418
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 15041745
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
CID 22731669
1-(difluoromethoxy)-2-fluoro-4-[4-(4-hexylcyclohexyl)cyclohexyl]benzene
CID 18659075
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052

Frequently Asked Questions

What is the IUPAC name of 2-decan-2-yloxy-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 2-decan-2-yloxy-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 20683472) is 2-decan-2-yloxy-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 2-decan-2-yloxy-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 2-decan-2-yloxy-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene is CCCCCCCCC(C)Oc1c(F)cc(C2CCC(C3CCC(CCC)CC3)CC2)cc1F.
What is the InChIKey of 2-decan-2-yloxy-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is UQGPKXYOSBQCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H50F2O/c1-4-6-7-8-9-10-12-23(3)34-31-29(32)21-28(22-30(31)33)27-19-17-26(18-20-27)25-15-13-24(11-5-2)14-16-25/h21-27H,4-20H2,1-3H3.
What are the key properties of 2-decan-2-yloxy-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
2-decan-2-yloxy-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 476.74 g/mol, XLogP of 10.36, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decan-2-yloxy-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 20683472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).