2-methyl-2-(4,4,4-trifluorobutylsulfonyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide

C16H25F6NO3S — CID 53330682

IUPAC2-methyl-2-(4,4,4-trifluorobutylsulfonyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide
SMILESCC(C)(C(=O)NCC1CCCC(C(F)(F)F)C1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C16H25F6NO3S/c1-14(2,27(25,26)8-4-7-15(17,18)19)13(24)23-10-11-5-3-6-12(9-11)16(20,21)22/h11-12H,3-10H2,1-2H3,(H,23,24)
InChIKeyJADAFCNQFYFKHC-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.01
Rot. Bonds7

About 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide

2-methyl-2-(4,4,4-trifluorobutylsulfonyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide (PubChem CID 53330682) has the molecular formula C16H25F6NO3S and a molecular weight of 425.44 g/mol. Its IUPAC name is 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(4,4,4-trifluorobutylsulfonyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide
PubChem CID53330682
Molecular FormulaC16H25F6NO3S
Molecular Weight425.44 g/mol
Exact Mass425.15
IUPAC Name2-methyl-2-(4,4,4-trifluorobutylsulfonyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide
SMILESCC(C)(C(=O)NCC1CCCC(C(F)(F)F)C1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C16H25F6NO3S/c1-14(2,27(25,26)8-4-7-15(17,18)19)13(24)23-10-11-5-3-6-12(9-11)16(20,21)22/h11-12H,3-10H2,1-2H3,(H,23,24)
InChIKeyJADAFCNQFYFKHC-UHFFFAOYSA-N
XLogP4.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide?
The IUPAC name of 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide (CID 53330682) is 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide?
The canonical SMILES for 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide is CC(C)(C(=O)NCC1CCCC(C(F)(F)F)C1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide?
The InChIKey is JADAFCNQFYFKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F6NO3S/c1-14(2,27(25,26)8-4-7-15(17,18)19)13(24)23-10-11-5-3-6-12(9-11)16(20,21)22/h11-12H,3-10H2,1-2H3,(H,23,24).
What are the key properties of 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide?
2-methyl-2-(4,4,4-trifluorobutylsulfonyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide has a molecular weight of 425.44 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4,4,4-trifluorobutylsulfonyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 53330682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).