ethane;3-hydroxy-N-(2-methylpropyl)-3-(trifluoromethyl)azetidine-1-carboxamide

C11H21F3N2O2 — CID 164556056

IUPACethane;3-hydroxy-N-(2-methylpropyl)-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESCC.CC(C)CNC(=O)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2.C2H6/c1-6(2)3-13-7(15)14-4-8(16,5-14)9(10,11)12;1-2/h6,16H,3-5H2,1-2H3,(H,13,15);1-2H3
InChIKeyNESCZEGKZVBXDP-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.99
Rot. Bonds2

About ethane;3-hydroxy-N-(2-methylpropyl)-3-(trifluoromethyl)azetidine-1-carboxamide

ethane;3-hydroxy-N-(2-methylpropyl)-3-(trifluoromethyl)azetidine-1-carboxamide (PubChem CID 164556056) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is ethane;3-hydroxy-N-(2-methylpropyl)-3-(trifluoromethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Nameethane;3-hydroxy-N-(2-methylpropyl)-3-(trifluoromethyl)azetidine-1-carboxamide
PubChem CID164556056
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Nameethane;3-hydroxy-N-(2-methylpropyl)-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESCC.CC(C)CNC(=O)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2.C2H6/c1-6(2)3-13-7(15)14-4-8(16,5-14)9(10,11)12;1-2/h6,16H,3-5H2,1-2H3,(H,13,15);1-2H3
InChIKeyNESCZEGKZVBXDP-UHFFFAOYSA-N
XLogP1.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide
CID 164556299
3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide
CID 164821528
3-hydroxy-N-propan-2-yl-3-(trifluoromethyl)azetidine-1-carboxamide
CID 167135154
1-[3-(Dimethylamino)-2-hydroxy-2-methylpropyl]-3-(2,2,2-trifluoroethyl)urea
CID 103839179
1-(2-Hydroxy-2,3-dimethylbutyl)-3-(3,3,3-trifluoropropyl)urea
CID 111509228
1-(2-Hydroxy-2-methylpropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 111519649
1-Ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 111778180
3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
CID 116013212
3-ethyl-3-hydroxy-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
CID 116013213
3-hydroxy-3-propan-2-yl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
CID 116013215
3-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
CID 126782254
3-ethyl-3-hydroxy-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 136582708

Frequently Asked Questions

What is the IUPAC name of ethane;3-hydroxy-N-(2-methylpropyl)-3-(trifluoromethyl)azetidine-1-carboxamide?
The IUPAC name of ethane;3-hydroxy-N-(2-methylpropyl)-3-(trifluoromethyl)azetidine-1-carboxamide (CID 164556056) is ethane;3-hydroxy-N-(2-methylpropyl)-3-(trifluoromethyl)azetidine-1-carboxamide.
What is the SMILES notation for ethane;3-hydroxy-N-(2-methylpropyl)-3-(trifluoromethyl)azetidine-1-carboxamide?
The canonical SMILES for ethane;3-hydroxy-N-(2-methylpropyl)-3-(trifluoromethyl)azetidine-1-carboxamide is CC.CC(C)CNC(=O)N1CC(O)(C(F)(F)F)C1.
What is the InChIKey of ethane;3-hydroxy-N-(2-methylpropyl)-3-(trifluoromethyl)azetidine-1-carboxamide?
The InChIKey is NESCZEGKZVBXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2.C2H6/c1-6(2)3-13-7(15)14-4-8(16,5-14)9(10,11)12;1-2/h6,16H,3-5H2,1-2H3,(H,13,15);1-2H3.
What are the key properties of ethane;3-hydroxy-N-(2-methylpropyl)-3-(trifluoromethyl)azetidine-1-carboxamide?
ethane;3-hydroxy-N-(2-methylpropyl)-3-(trifluoromethyl)azetidine-1-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydroxy-N-(2-methylpropyl)-3-(trifluoromethyl)azetidine-1-carboxamide is sourced from PubChem (CID 164556056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).