[(1R)-1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-oxocyclohexyl] carbamate

C14H13ClF3NO4 — CID 175467790

IUPAC[(1R)-1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-oxocyclohexyl] carbamate
SMILESNC(=O)O[C@@]1(c2ccc(Cl)c(OC(F)(F)F)c2)CCCCC1=O
InChIInChI=1S/C14H13ClF3NO4/c15-9-5-4-8(7-10(9)22-14(16,17)18)13(23-12(19)21)6-2-1-3-11(13)20/h4-5,7H,1-3,6H2,(H2,19,21)/t13-/m1/s1
InChIKeyJLJJRMPPTDTERY-CYBMUJFWSA-N
MW351.71 g/mol
LogP3.67
Rot. Bonds3

About [(1R)-1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-oxocyclohexyl] carbamate

[(1R)-1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-oxocyclohexyl] carbamate (PubChem CID 175467790) has the molecular formula C14H13ClF3NO4 and a molecular weight of 351.71 g/mol. Its IUPAC name is [(1R)-1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-oxocyclohexyl] carbamate.

Molecular Properties

Compound Name[(1R)-1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-oxocyclohexyl] carbamate
PubChem CID175467790
Molecular FormulaC14H13ClF3NO4
Molecular Weight351.71 g/mol
Exact Mass351.05
IUPAC Name[(1R)-1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-oxocyclohexyl] carbamate
SMILESNC(=O)O[C@@]1(c2ccc(Cl)c(OC(F)(F)F)c2)CCCCC1=O
InChIInChI=1S/C14H13ClF3NO4/c15-9-5-4-8(7-10(9)22-14(16,17)18)13(23-12(19)21)6-2-1-3-11(13)20/h4-5,7H,1-3,6H2,(H2,19,21)/t13-/m1/s1
InChIKeyJLJJRMPPTDTERY-CYBMUJFWSA-N
XLogP3.67
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.71
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-oxo-1-[4-(trifluoromethyl)phenyl]cyclohexyl] carbamate
CID 175467808
2-[4-chloro-3-(trifluoromethoxy)phenyl]-6-hydroxy-2-methylcyclohexan-1-one
CID 161124097
2-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]propanedioic acid
CID 69046821
2-[[4-chloro-3-(trifluoromethoxy)phenyl]methylsulfanyl]-2-cyclopentylacetamide
CID 162644479
ethyl 1-(4-chloro-3-fluorophenyl)-2-oxocyclohexane-1-carboxylate
CID 69305621
ethyl 1-(3,4-dichlorophenyl)-2-oxocyclohexane-1-carboxylate
CID 58954927
[4-chloro-3-(trifluoromethoxy)phenyl]methyl piperazine-1-carboxylate
CID 66720697
2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-1,2-dicarboxamide
CID 135389521
ethyl 3-[4-chloro-3-(trifluoromethoxy)phenyl]propanoate
CID 134632674
2-amino-4-chloro-5-(trifluoromethoxy)benzamide
CID 119015619
tert-butyl N-[1-[3-chloro-5-(trifluoromethoxy)phenyl]-2-oxocyclohexyl]carbamate
CID 139573486
1-[3-chloro-4-(trifluoromethoxy)anilino]cyclohexane-1-carboxylic acid
CID 171849054

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-oxocyclohexyl] carbamate?
The IUPAC name of [(1R)-1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-oxocyclohexyl] carbamate (CID 175467790) is [(1R)-1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-oxocyclohexyl] carbamate.
What is the SMILES notation for [(1R)-1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-oxocyclohexyl] carbamate?
The canonical SMILES for [(1R)-1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-oxocyclohexyl] carbamate is NC(=O)O[C@@]1(c2ccc(Cl)c(OC(F)(F)F)c2)CCCCC1=O.
What is the InChIKey of [(1R)-1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-oxocyclohexyl] carbamate?
The InChIKey is JLJJRMPPTDTERY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H13ClF3NO4/c15-9-5-4-8(7-10(9)22-14(16,17)18)13(23-12(19)21)6-2-1-3-11(13)20/h4-5,7H,1-3,6H2,(H2,19,21)/t13-/m1/s1.
What are the key properties of [(1R)-1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-oxocyclohexyl] carbamate?
[(1R)-1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-oxocyclohexyl] carbamate has a molecular weight of 351.71 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[4-chloro-3-(trifluoromethoxy)phenyl]-2-oxocyclohexyl] carbamate is sourced from PubChem (CID 175467790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).