2-[4-(4-butylcyclohexyl)-2,3-difluorophenyl]-5-fluoro-1,4-dihydronaphthalene

C26H29F3 — CID 139960832

IUPAC2-[4-(4-butylcyclohexyl)-2,3-difluorophenyl]-5-fluoro-1,4-dihydronaphthalene
SMILESCCCCC1CCC(c2ccc(C3=CCc4c(F)cccc4C3)c(F)c2F)CC1
InChIInChI=1S/C26H29F3/c1-2-3-5-17-8-10-18(11-9-17)22-14-15-23(26(29)25(22)28)20-12-13-21-19(16-20)6-4-7-24(21)27/h4,6-7,12,14-15,17-18H,2-3,5,8-11,13,16H2,1H3
InChIKeyZUPHPHUNDRYLEN-UHFFFAOYSA-N
MW398.51 g/mol
LogP7.75
Rot. Bonds5

About 2-[4-(4-butylcyclohexyl)-2,3-difluorophenyl]-5-fluoro-1,4-dihydronaphthalene

2-[4-(4-butylcyclohexyl)-2,3-difluorophenyl]-5-fluoro-1,4-dihydronaphthalene (PubChem CID 139960832) has the molecular formula C26H29F3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[4-(4-butylcyclohexyl)-2,3-difluorophenyl]-5-fluoro-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-[4-(4-butylcyclohexyl)-2,3-difluorophenyl]-5-fluoro-1,4-dihydronaphthalene
PubChem CID139960832
Molecular FormulaC26H29F3
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name2-[4-(4-butylcyclohexyl)-2,3-difluorophenyl]-5-fluoro-1,4-dihydronaphthalene
SMILESCCCCC1CCC(c2ccc(C3=CCc4c(F)cccc4C3)c(F)c2F)CC1
InChIInChI=1S/C26H29F3/c1-2-3-5-17-8-10-18(11-9-17)22-14-15-23(26(29)25(22)28)20-12-13-21-19(16-20)6-4-7-24(21)27/h4,6-7,12,14-15,17-18H,2-3,5,8-11,13,16H2,1H3
InChIKeyZUPHPHUNDRYLEN-UHFFFAOYSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[4-(4-butylcyclohexyl)-2,3-difluorophenyl]-5-fluoro-1,4-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

2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-1,4-dihydronaphthalene
CID 139960874
5-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene
CID 139960788
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
1-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-2,3-difluoro-4-propylbenzene
CID 59874072
1-(4-butylcyclohexyl)-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene
CID 134358667
6,7-difluoro-2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139961787
3-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-6-fluoro-1,2-dihydronaphthalene
CID 139961413
1-(4-butylcyclohexyl)-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 141107099
2,3-difluoro-1-(4-propylcyclohexyl)-4-(3,4,5-trifluorophenyl)benzene
CID 118593448
1-[2,3-difluoro-4-(4-octylcyclohexyl)phenyl]-2,3-difluoro-4-pentoxybenzene
CID 134358701
2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
CID 139961736
2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065275

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butylcyclohexyl)-2,3-difluorophenyl]-5-fluoro-1,4-dihydronaphthalene?
The IUPAC name of 2-[4-(4-butylcyclohexyl)-2,3-difluorophenyl]-5-fluoro-1,4-dihydronaphthalene (CID 139960832) is 2-[4-(4-butylcyclohexyl)-2,3-difluorophenyl]-5-fluoro-1,4-dihydronaphthalene.
What is the SMILES notation for 2-[4-(4-butylcyclohexyl)-2,3-difluorophenyl]-5-fluoro-1,4-dihydronaphthalene?
The canonical SMILES for 2-[4-(4-butylcyclohexyl)-2,3-difluorophenyl]-5-fluoro-1,4-dihydronaphthalene is CCCCC1CCC(c2ccc(C3=CCc4c(F)cccc4C3)c(F)c2F)CC1.
What is the InChIKey of 2-[4-(4-butylcyclohexyl)-2,3-difluorophenyl]-5-fluoro-1,4-dihydronaphthalene?
The InChIKey is ZUPHPHUNDRYLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3/c1-2-3-5-17-8-10-18(11-9-17)22-14-15-23(26(29)25(22)28)20-12-13-21-19(16-20)6-4-7-24(21)27/h4,6-7,12,14-15,17-18H,2-3,5,8-11,13,16H2,1H3.
What are the key properties of 2-[4-(4-butylcyclohexyl)-2,3-difluorophenyl]-5-fluoro-1,4-dihydronaphthalene?
2-[4-(4-butylcyclohexyl)-2,3-difluorophenyl]-5-fluoro-1,4-dihydronaphthalene has a molecular weight of 398.51 g/mol, XLogP of 7.75, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butylcyclohexyl)-2,3-difluorophenyl]-5-fluoro-1,4-dihydronaphthalene is sourced from PubChem (CID 139960832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).