N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-(2,2,2-trifluoroethyl)methanesulfonamide

C12H17F6NO2S — CID 138550952

IUPACN-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESO=S(=O)(N(CC=CC1CCCCC1)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F6NO2S/c13-11(14,15)9-19(22(20,21)12(16,17)18)8-4-7-10-5-2-1-3-6-10/h4,7,10H,1-3,5-6,8-9H2
InChIKeyJOSXXRPBSHBSKU-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.84
Rot. Bonds5

About N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 138550952) has the molecular formula C12H17F6NO2S and a molecular weight of 353.33 g/mol. Its IUPAC name is N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID138550952
Molecular FormulaC12H17F6NO2S
Molecular Weight353.33 g/mol
Exact Mass353.09
IUPAC NameN-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESO=S(=O)(N(CC=CC1CCCCC1)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F6NO2S/c13-11(14,15)9-19(22(20,21)12(16,17)18)8-4-7-10-5-2-1-3-6-10/h4,7,10H,1-3,5-6,8-9H2
InChIKeyJOSXXRPBSHBSKU-UHFFFAOYSA-N
XLogP3.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-phenylmethanesulfonamide
CID 138550964
methyl (2S,3S)-2-[[(E)-3-cyclohexylprop-2-enyl]-(trifluoromethylsulfonyl)amino]-3-methylpentanoate
CID 159326672
(E)-3-cycloheptylprop-2-ene-1-sulfonyl chloride
CID 115041900
4-chlorobut-1-enylcyclohexane
CID 72770329
3-cyclohexylprop-2-ene-1-thiol
CID 54572501
[(E)-but-1-enyl]cyclodecane
CID 173272598
2-cyclohexylethenylcyclohexane
CID 4124459
3-cyclohexylprop-2-enyl hydrogen carbonate
CID 139900277
(6E)-7-cyclohexyl-1,1,2-trifluoro-4-(trifluoromethyl)hepta-1,6-dien-4-ol
CID 23591080
(Z)-4-cyclopentylbut-3-enal
CID 117268117
N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 107483757
3-cyclopentylprop-2-en-1-amine
CID 54310760

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 138550952) is N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-(2,2,2-trifluoroethyl)methanesulfonamide is O=S(=O)(N(CC=CC1CCCCC1)CC(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is JOSXXRPBSHBSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F6NO2S/c13-11(14,15)9-19(22(20,21)12(16,17)18)8-4-7-10-5-2-1-3-6-10/h4,7,10H,1-3,5-6,8-9H2.
What are the key properties of N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 353.33 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylprop-2-enyl)-1,1,1-trifluoro-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 138550952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).