6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene

C30H38F2 — CID 139849781

IUPAC6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCc1ccc2c(c1)CCC(c1c(F)cc(C3CCC(CCCC)CC3)cc1F)C2
InChIInChI=1S/C30H38F2/c1-3-5-7-21-9-12-23(13-10-21)27-19-28(31)30(29(32)20-27)26-16-15-24-17-22(8-6-4-2)11-14-25(24)18-26/h4,11,14,17,19-21,23,26H,2-3,5-10,12-13,15-16,18H2,1H3
InChIKeyMHQOXHFDVUMKIR-UHFFFAOYSA-N
MW436.63 g/mol
LogP8.82
Rot. Bonds8

About 6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene

6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849781) has the molecular formula C30H38F2 and a molecular weight of 436.63 g/mol. Its IUPAC name is 6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139849781
Molecular FormulaC30H38F2
Molecular Weight436.63 g/mol
Exact Mass436.29
IUPAC Name6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCc1ccc2c(c1)CCC(c1c(F)cc(C3CCC(CCCC)CC3)cc1F)C2
InChIInChI=1S/C30H38F2/c1-3-5-7-21-9-12-23(13-10-21)27-19-28(31)30(29(32)20-27)26-16-15-24-17-22(8-6-4-2)11-14-25(24)18-26/h4,11,14,17,19-21,23,26H,2-3,5-10,12-13,15-16,18H2,1H3
InChIKeyMHQOXHFDVUMKIR-UHFFFAOYSA-N
XLogP8.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.63
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849823
6-butyl-2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849747
2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-6-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139849248
6-but-3-enyl-2-[4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848065
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139849018
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-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139847826
6-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848488
6-but-3-enyl-2-(4-ethenyl-2,6-difluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139849251
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene
CID 139848399
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-6-pentoxy-1,2,3,4-tetrahydronaphthalene
CID 139848959

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene (CID 139849781) is 6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene is C=CCCc1ccc2c(c1)CCC(c1c(F)cc(C3CCC(CCCC)CC3)cc1F)C2.
What is the InChIKey of 6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is MHQOXHFDVUMKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F2/c1-3-5-7-21-9-12-23(13-10-21)27-19-28(31)30(29(32)20-27)26-16-15-24-17-22(8-6-4-2)11-14-25(24)18-26/h4,11,14,17,19-21,23,26H,2-3,5-10,12-13,15-16,18H2,1H3.
What are the key properties of 6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene?
6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 436.63 g/mol, XLogP of 8.82, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).