[(1R)-1-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentyl] carbamate

C23H22F3NO2 — CID 69175335

IUPAC[(1R)-1-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentyl] carbamate
SMILESNC(=O)O[C@H](CCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C23H22F3NO2/c24-23(25,26)18-11-5-8-16(15-18)7-1-4-14-21(29-22(27)28)20-13-6-10-17-9-2-3-12-19(17)20/h2-3,5-6,8-13,15,21H,1,4,7,14H2,(H2,27,28)/t21-/m1/s1
InChIKeyUFZSKZOGLLTGEA-OAQYLSRUSA-N
MW401.43 g/mol
LogP6.41
Rot. Bonds7

About [(1R)-1-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentyl] carbamate

[(1R)-1-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentyl] carbamate (PubChem CID 69175335) has the molecular formula C23H22F3NO2 and a molecular weight of 401.43 g/mol. Its IUPAC name is [(1R)-1-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentyl] carbamate.

Molecular Properties

Compound Name[(1R)-1-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentyl] carbamate
PubChem CID69175335
Molecular FormulaC23H22F3NO2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name[(1R)-1-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentyl] carbamate
SMILESNC(=O)O[C@H](CCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C23H22F3NO2/c24-23(25,26)18-11-5-8-16(15-18)7-1-4-14-21(29-22(27)28)20-13-6-10-17-9-2-3-12-19(17)20/h2-3,5-6,8-13,15,21H,1,4,7,14H2,(H2,27,28)/t21-/m1/s1
InChIKeyUFZSKZOGLLTGEA-OAQYLSRUSA-N
XLogP6.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.43
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentyl] carbamate?
The IUPAC name of [(1R)-1-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentyl] carbamate (CID 69175335) is [(1R)-1-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentyl] carbamate.
What is the SMILES notation for [(1R)-1-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentyl] carbamate?
The canonical SMILES for [(1R)-1-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentyl] carbamate is NC(=O)O[C@H](CCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.
What is the InChIKey of [(1R)-1-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentyl] carbamate?
The InChIKey is UFZSKZOGLLTGEA-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H22F3NO2/c24-23(25,26)18-11-5-8-16(15-18)7-1-4-14-21(29-22(27)28)20-13-6-10-17-9-2-3-12-19(17)20/h2-3,5-6,8-13,15,21H,1,4,7,14H2,(H2,27,28)/t21-/m1/s1.
What are the key properties of [(1R)-1-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentyl] carbamate?
[(1R)-1-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentyl] carbamate has a molecular weight of 401.43 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-naphthalen-1-yl-5-[3-(trifluoromethyl)phenyl]pentyl] carbamate is sourced from PubChem (CID 69175335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).