6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene

C20H23F3 — CID 58840081

IUPAC6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene
SMILESCCCCC1CCC(c2ccc3c(F)c(F)c(F)cc3c2)CC1
InChIInChI=1S/C20H23F3/c1-2-3-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)12-18(21)20(23)19(17)22/h9-14H,2-8H2,1H3
InChIKeyRPURXSPPGKKFTM-UHFFFAOYSA-N
MW320.40 g/mol
LogP6.72
Rot. Bonds4

About 6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene

6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene (PubChem CID 58840081) has the molecular formula C20H23F3 and a molecular weight of 320.40 g/mol. Its IUPAC name is 6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene.

Molecular Properties

Compound Name6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene
PubChem CID58840081
Molecular FormulaC20H23F3
Molecular Weight320.40 g/mol
Exact Mass320.18
IUPAC Name6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene
SMILESCCCCC1CCC(c2ccc3c(F)c(F)c(F)cc3c2)CC1
InChIInChI=1S/C20H23F3/c1-2-3-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)12-18(21)20(23)19(17)22/h9-14H,2-8H2,1H3
InChIKeyRPURXSPPGKKFTM-UHFFFAOYSA-N
XLogP6.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.40
LogP ≤ 56.72
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

6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1,2,3-trifluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalene
CID 160628288
6-[2-[4-(4-butylcyclohexyl)-2-fluorophenyl]ethynyl]-1,2,3-trifluoronaphthalene
CID 139859513
1,3-difluoro-6-(4-heptylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139856451
1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene
CID 139850164
6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3-difluoro-2-(trifluoromethyl)naphthalene
CID 22383155
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene
CID 139856218
1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol
CID 139850039
2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene
CID 58840172
1,2,3-trifluoro-6-[4-(4-methylphenyl)cyclohexyl]naphthalene
CID 139846546
6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3-difluoro-2-(trifluoromethoxy)naphthalene
CID 22383597
6-[4-(2,6-difluoro-4-propylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene
CID 139846563

Frequently Asked Questions

What is the IUPAC name of 6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene?
The IUPAC name of 6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene (CID 58840081) is 6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene.
What is the SMILES notation for 6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene?
The canonical SMILES for 6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene is CCCCC1CCC(c2ccc3c(F)c(F)c(F)cc3c2)CC1.
What is the InChIKey of 6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene?
The InChIKey is RPURXSPPGKKFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3/c1-2-3-4-13-5-7-14(8-6-13)15-9-10-17-16(11-15)12-18(21)20(23)19(17)22/h9-14H,2-8H2,1H3.
What are the key properties of 6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene?
6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene has a molecular weight of 320.40 g/mol, XLogP of 6.72, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene is sourced from PubChem (CID 58840081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).