1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene

C25H24F4 — CID 58839893

IUPAC1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene
SMILESCCCc1ccc2c(F)c(C3CCC(c4cc(F)c(F)c(F)c4)CC3)ccc2c1
InChIInChI=1S/C25H24F4/c1-2-3-15-4-10-21-18(12-15)9-11-20(24(21)28)17-7-5-16(6-8-17)19-13-22(26)25(29)23(27)14-19/h4,9-14,16-17H,2-3,5-8H2,1H3
InChIKeyPUAPMKZPMHEORA-UHFFFAOYSA-N
MW400.46 g/mol
LogP7.79
Rot. Bonds4

About 1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene

1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene (PubChem CID 58839893) has the molecular formula C25H24F4 and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene.

Molecular Properties

Compound Name1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene
PubChem CID58839893
Molecular FormulaC25H24F4
Molecular Weight400.46 g/mol
Exact Mass400.18
IUPAC Name1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene
SMILESCCCc1ccc2c(F)c(C3CCC(c4cc(F)c(F)c(F)c4)CC3)ccc2c1
InChIInChI=1S/C25H24F4/c1-2-3-15-4-10-21-18(12-15)9-11-20(24(21)28)17-7-5-16(6-8-17)19-13-22(26)25(29)23(27)14-19/h4,9-14,16-17H,2-3,5-8H2,1H3
InChIKeyPUAPMKZPMHEORA-UHFFFAOYSA-N
XLogP7.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-6-propylnaphthalene
CID 139862821
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene
CID 139849743
1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene
CID 139860894
2-(4-but-3-enylcyclohexyl)-1-fluoro-6-pentylnaphthalene
CID 139863041
2-propyl-7-(3,4,5-trifluorophenyl)phenanthrene
CID 22044943
1-fluoro-2-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]-6-propylnaphthalene
CID 139876573
6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848462
6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene
CID 139849606
6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene
CID 139863366
6-[4-(2,6-difluoro-4-propylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene
CID 139846563
2-(4-but-3-enylcyclohexyl)-6-ethyl-1-fluoronaphthalene
CID 139861557
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-hexylnaphthalene
CID 139849579

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene?
The IUPAC name of 1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene (CID 58839893) is 1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene.
What is the SMILES notation for 1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene?
The canonical SMILES for 1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene is CCCc1ccc2c(F)c(C3CCC(c4cc(F)c(F)c(F)c4)CC3)ccc2c1.
What is the InChIKey of 1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene?
The InChIKey is PUAPMKZPMHEORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4/c1-2-3-15-4-10-21-18(12-15)9-11-20(24(21)28)17-7-5-16(6-8-17)19-13-22(26)25(29)23(27)14-19/h4,9-14,16-17H,2-3,5-8H2,1H3.
What are the key properties of 1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene?
1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene has a molecular weight of 400.46 g/mol, XLogP of 7.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene is sourced from PubChem (CID 58839893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).