2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene

C28H36F2 — CID 139849018

IUPAC2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCc1ccc2c(c1)CCC(c1c(F)cc(C3CCC(CCC)CC3)cc1F)C2
InChIInChI=1S/C28H36F2/c1-3-5-19-7-10-21(11-8-19)25-17-26(29)28(27(30)18-25)24-14-13-22-15-20(6-4-2)9-12-23(22)16-24/h9,12,15,17-19,21,24H,3-8,10-11,13-14,16H2,1-2H3
InChIKeyZRZFLKPLRDGBFM-UHFFFAOYSA-N
MW410.59 g/mol
LogP8.26
Rot. Bonds6

About 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene

2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849018) has the molecular formula C28H36F2 and a molecular weight of 410.59 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene
PubChem CID139849018
Molecular FormulaC28H36F2
Molecular Weight410.59 g/mol
Exact Mass410.28
IUPAC Name2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCc1ccc2c(c1)CCC(c1c(F)cc(C3CCC(CCC)CC3)cc1F)C2
InChIInChI=1S/C28H36F2/c1-3-5-19-7-10-21(11-8-19)25-17-26(29)28(27(30)18-25)24-14-13-22-15-20(6-4-2)9-12-23(22)16-24/h9,12,15,17-19,21,24H,3-8,10-11,13-14,16H2,1-2H3
InChIKeyZRZFLKPLRDGBFM-UHFFFAOYSA-N
XLogP8.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.59
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-6-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139849248
6-butyl-2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849747
6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849781
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-ethoxy-1,2,3,4-tetrahydronaphthalene
CID 139847867
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene
CID 139848448
6-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848488
6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139849868
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139848699
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-pentoxy-1,2,3,4-tetrahydronaphthalene
CID 139848959
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene
CID 139848399
6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849519
6-but-2-enoxy-2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849866

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene (CID 139849018) is 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene is CCCc1ccc2c(c1)CCC(c1c(F)cc(C3CCC(CCC)CC3)cc1F)C2.
What is the InChIKey of 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ZRZFLKPLRDGBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F2/c1-3-5-19-7-10-21(11-8-19)25-17-26(29)28(27(30)18-25)24-14-13-22-15-20(6-4-2)9-12-23(22)16-24/h9,12,15,17-19,21,24H,3-8,10-11,13-14,16H2,1-2H3.
What are the key properties of 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene?
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 410.59 g/mol, XLogP of 8.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).