6-fluoro-2-[4-(2-fluoro-4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene

C25H28F2 — CID 139948778

IUPAC6-fluoro-2-[4-(2-fluoro-4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
SMILESCCCC1CCC(c2ccc(C3=CCc4cc(F)ccc4C3)cc2)C(F)C1
InChIInChI=1S/C25H28F2/c1-2-3-17-4-13-24(25(27)14-17)19-7-5-18(6-8-19)20-9-10-22-16-23(26)12-11-21(22)15-20/h5-9,11-12,16-17,24-25H,2-4,10,13-15H2,1H3
InChIKeyFKIIUWDQPIHBBW-UHFFFAOYSA-N
MW366.50 g/mol
LogP7.03
Rot. Bonds4

About 6-fluoro-2-[4-(2-fluoro-4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene

6-fluoro-2-[4-(2-fluoro-4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene (PubChem CID 139948778) has the molecular formula C25H28F2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 6-fluoro-2-[4-(2-fluoro-4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene.

Molecular Properties

Compound Name6-fluoro-2-[4-(2-fluoro-4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
PubChem CID139948778
Molecular FormulaC25H28F2
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Name6-fluoro-2-[4-(2-fluoro-4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
SMILESCCCC1CCC(c2ccc(C3=CCc4cc(F)ccc4C3)cc2)C(F)C1
InChIInChI=1S/C25H28F2/c1-2-3-17-4-13-24(25(27)14-17)19-7-5-18(6-8-19)20-9-10-22-16-23(26)12-11-21(22)15-20/h5-9,11-12,16-17,24-25H,2-4,10,13-15H2,1H3
InChIKeyFKIIUWDQPIHBBW-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-(2,6-difluoro-4-propylcyclohexyl)phenyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139948762
5,7-difluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139949006
2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
CID 139961736
2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961869
2-[4-(2,6-difluoro-4-pentylcyclohexyl)phenyl]-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139948720
5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139948703
2-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-1,4-dihydronaphthalene
CID 139961550
[2-(4-fluorophenyl)-4-propylcyclohexyl]methanamine
CID 81012117
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1-[(1R,2R)-2-fluorocyclopropyl]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139666683
1-chloro-4-(4-ethyl-2-fluorocyclohexyl)benzene
CID 57222573
(2R,4aR,6R,8aR)-2-(4-fluorophenyl)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809899

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-(2-fluoro-4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene?
The IUPAC name of 6-fluoro-2-[4-(2-fluoro-4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene (CID 139948778) is 6-fluoro-2-[4-(2-fluoro-4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene.
What is the SMILES notation for 6-fluoro-2-[4-(2-fluoro-4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene?
The canonical SMILES for 6-fluoro-2-[4-(2-fluoro-4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene is CCCC1CCC(c2ccc(C3=CCc4cc(F)ccc4C3)cc2)C(F)C1.
What is the InChIKey of 6-fluoro-2-[4-(2-fluoro-4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene?
The InChIKey is FKIIUWDQPIHBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2/c1-2-3-17-4-13-24(25(27)14-17)19-7-5-18(6-8-19)20-9-10-22-16-23(26)12-11-21(22)15-20/h5-9,11-12,16-17,24-25H,2-4,10,13-15H2,1H3.
What are the key properties of 6-fluoro-2-[4-(2-fluoro-4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene?
6-fluoro-2-[4-(2-fluoro-4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene has a molecular weight of 366.50 g/mol, XLogP of 7.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-(2-fluoro-4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene is sourced from PubChem (CID 139948778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).