7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene

C27H32F2 — CID 139960382

IUPAC7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
SMILESCCCC1CCC(c2ccc(C3=Cc4ccc(CC)c(F)c4CC3)c(F)c2)CC1
InChIInChI=1S/C27H32F2/c1-3-5-18-6-8-20(9-7-18)21-12-14-24(26(28)17-21)22-13-15-25-23(16-22)11-10-19(4-2)27(25)29/h10-12,14,16-18,20H,3-9,13,15H2,1-2H3
InChIKeyRNFNIEHZHSINHX-UHFFFAOYSA-N
MW394.55 g/mol
LogP8.09
Rot. Bonds5

About 7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene

7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene (PubChem CID 139960382) has the molecular formula C27H32F2 and a molecular weight of 394.55 g/mol. Its IUPAC name is 7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
PubChem CID139960382
Molecular FormulaC27H32F2
Molecular Weight394.55 g/mol
Exact Mass394.25
IUPAC Name7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
SMILESCCCC1CCC(c2ccc(C3=Cc4ccc(CC)c(F)c4CC3)c(F)c2)CC1
InChIInChI=1S/C27H32F2/c1-3-5-18-6-8-20(9-7-18)21-12-14-24(26(28)17-21)22-13-15-25-23(16-22)11-10-19(4-2)27(25)29/h10-12,14,16-18,20H,3-9,13,15H2,1-2H3
InChIKeyRNFNIEHZHSINHX-UHFFFAOYSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.55
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene 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

7-ethyl-3-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-8-fluoro-1,2-dihydronaphthalene
CID 139960412
6,7,8-trifluoro-3-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139952238
6-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,3-difluoro-7,8-dihydronaphthalene-2-carbonitrile
CID 139951958
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene
CID 139960643
6-fluoro-3-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-7-methoxy-1,2-dihydronaphthalene
CID 139961109
7-ethyl-6-fluoro-3-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139961108
3-(4-butyl-2,3-difluorophenyl)-7-ethyl-8-fluoro-1,2-dihydronaphthalene
CID 139960469
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene
CID 18681375
7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene
CID 139961179
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene?
The IUPAC name of 7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene (CID 139960382) is 7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene.
What is the SMILES notation for 7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene?
The canonical SMILES for 7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene is CCCC1CCC(c2ccc(C3=Cc4ccc(CC)c(F)c4CC3)c(F)c2)CC1.
What is the InChIKey of 7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene?
The InChIKey is RNFNIEHZHSINHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2/c1-3-5-18-6-8-20(9-7-18)21-12-14-24(26(28)17-21)22-13-15-25-23(16-22)11-10-19(4-2)27(25)29/h10-12,14,16-18,20H,3-9,13,15H2,1-2H3.
What are the key properties of 7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene?
7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene has a molecular weight of 394.55 g/mol, XLogP of 8.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-fluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene is sourced from PubChem (CID 139960382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).