2-ethyl-3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]cyclobutan-1-amine

C14H18F3NO2S — CID 81416456

IUPAC2-ethyl-3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]cyclobutan-1-amine
SMILESCCC1C(N)CC1c1ccc(S(=O)(=O)CC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2S/c1-2-11-12(7-13(11)18)9-3-5-10(6-4-9)21(19,20)8-14(15,16)17/h3-6,11-13H,2,7-8,18H2,1H3
InChIKeyRIACCVZVCDUTRF-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.86
Rot. Bonds4

About 2-ethyl-3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]cyclobutan-1-amine

2-ethyl-3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]cyclobutan-1-amine (PubChem CID 81416456) has the molecular formula C14H18F3NO2S and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-ethyl-3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]cyclobutan-1-amine
PubChem CID81416456
Molecular FormulaC14H18F3NO2S
Molecular Weight321.36 g/mol
Exact Mass321.10
IUPAC Name2-ethyl-3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]cyclobutan-1-amine
SMILESCCC1C(N)CC1c1ccc(S(=O)(=O)CC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2S/c1-2-11-12(7-13(11)18)9-3-5-10(6-4-9)21(19,20)8-14(15,16)17/h3-6,11-13H,2,7-8,18H2,1H3
InChIKeyRIACCVZVCDUTRF-UHFFFAOYSA-N
XLogP2.86
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]cyclobutan-1-amine?
The IUPAC name of 2-ethyl-3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]cyclobutan-1-amine (CID 81416456) is 2-ethyl-3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 2-ethyl-3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]cyclobutan-1-amine is CCC1C(N)CC1c1ccc(S(=O)(=O)CC(F)(F)F)cc1.
What is the InChIKey of 2-ethyl-3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]cyclobutan-1-amine?
The InChIKey is RIACCVZVCDUTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2S/c1-2-11-12(7-13(11)18)9-3-5-10(6-4-9)21(19,20)8-14(15,16)17/h3-6,11-13H,2,7-8,18H2,1H3.
What are the key properties of 2-ethyl-3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]cyclobutan-1-amine?
2-ethyl-3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]cyclobutan-1-amine has a molecular weight of 321.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 81416456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).