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

C18H24F3NO2 — CID 46861663

IUPAC[4-(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)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3NO2/c1-11(2)15-9-4-12(3)10-16(15)22-17(23)24-14-7-5-13(6-8-14)18(19,20)21/h5-8,11-12,15-16H,4,9-10H2,1-3H3,(H,22,23)/t12-,15+,16-/m1/s1
InChIKeyUICIGRMYBVRNIT-UHOFOFEASA-N
MW343.39 g/mol
LogP5.25
Rot. Bonds3

About [4-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate

[4-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate (PubChem CID 46861663) has the molecular formula C18H24F3NO2 and a molecular weight of 343.39 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate
PubChem CID46861663
Molecular FormulaC18H24F3NO2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name[4-(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)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3NO2/c1-11(2)15-9-4-12(3)10-16(15)22-17(23)24-14-7-5-13(6-8-14)18(19,20)21/h5-8,11-12,15-16H,4,9-10H2,1-3H3,(H,22,23)/t12-,15+,16-/m1/s1
InChIKeyUICIGRMYBVRNIT-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

Analyze [4-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate with MolForge

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Related Compounds

trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 67477177
2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
CID 6932663
N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide
CID 126621339
5-chloro-2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 63483142
2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 61214396
N-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63419352
2-methoxy-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide
CID 113225650
2-(methylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 63552614
N-(5-methyl-2-propan-2-ylcyclohexyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47234721
5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 63997417
2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 107951942
N-(5-methyl-2-propan-2-ylcyclohexyl)thiadiazole-5-carboxamide
CID 47350810

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate?
The IUPAC name of [4-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate (CID 46861663) is [4-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate.
What is the SMILES notation for [4-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate?
The canonical SMILES for [4-(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)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate?
The InChIKey is UICIGRMYBVRNIT-UHOFOFEASA-N. The full InChI is InChI=1S/C18H24F3NO2/c1-11(2)15-9-4-12(3)10-16(15)22-17(23)24-14-7-5-13(6-8-14)18(19,20)21/h5-8,11-12,15-16H,4,9-10H2,1-3H3,(H,22,23)/t12-,15+,16-/m1/s1.
What are the key properties of [4-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate?
[4-(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 [4-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate is sourced from PubChem (CID 46861663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).