[3-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate

C18H24F3NO2 — CID 46861650

IUPAC[3-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H24F3NO2/c1-11(2)15-8-7-12(3)9-16(15)22-17(23)24-14-6-4-5-13(10-14)18(19,20)21/h4-6,10-12,15-16H,7-9H2,1-3H3,(H,22,23)/t12-,15+,16-/m1/s1
InChIKeyHIMOFWHLZQAPSP-UHOFOFEASA-N
MW343.39 g/mol
LogP5.25
Rot. Bonds3

About [3-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate

[3-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate (PubChem CID 46861650) has the molecular formula C18H24F3NO2 and a molecular weight of 343.39 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate
PubChem CID46861650
Molecular FormulaC18H24F3NO2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name[3-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H24F3NO2/c1-11(2)15-8-7-12(3)9-16(15)22-17(23)24-14-6-4-5-13(10-14)18(19,20)21/h4-6,10-12,15-16H,7-9H2,1-3H3,(H,22,23)/t12-,15+,16-/m1/s1
InChIKeyHIMOFWHLZQAPSP-UHOFOFEASA-N
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.39
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate?
The IUPAC name of [3-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate (CID 46861650) is [3-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate.
What is the SMILES notation for [3-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate?
The canonical SMILES for [3-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate?
The InChIKey is HIMOFWHLZQAPSP-UHOFOFEASA-N. The full InChI is InChI=1S/C18H24F3NO2/c1-11(2)15-8-7-12(3)9-16(15)22-17(23)24-14-6-4-5-13(10-14)18(19,20)21/h4-6,10-12,15-16H,7-9H2,1-3H3,(H,22,23)/t12-,15+,16-/m1/s1.
What are the key properties of [3-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate?
[3-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate has a molecular weight of 343.39 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate is sourced from PubChem (CID 46861650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).