3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide

C10H17F3N2O2 — CID 164821528

IUPAC3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-6(2)7(3)14-8(16)15-4-9(17,5-15)10(11,12)13/h6-7,17H,4-5H2,1-3H3,(H,14,16)/t7-/m1/s1
InChIKeyHTFQMXDEYHIBCC-SSDOTTSWSA-N
MW254.25 g/mol
LogP1.35
Rot. Bonds2

About 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide

3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide (PubChem CID 164821528) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide
PubChem CID164821528
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-6(2)7(3)14-8(16)15-4-9(17,5-15)10(11,12)13/h6-7,17H,4-5H2,1-3H3,(H,14,16)/t7-/m1/s1
InChIKeyHTFQMXDEYHIBCC-SSDOTTSWSA-N
XLogP1.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-hydroxy-N-(2-methylpropyl)-3-(trifluoromethyl)azetidine-1-carboxamide
CID 164556056
N-ethyl-3-hydroxy-3-(trifluoromethyl)azetidine-1-carboxamide
CID 164556299
3-hydroxy-N-propan-2-yl-3-(trifluoromethyl)azetidine-1-carboxamide
CID 167135154
3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 167135157
N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide
CID 167135161
3-(difluoromethoxy)-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 167135172
1-(3-Hydroxy-3-methylbutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 53542417
1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea
CID 95145635
1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea
CID 95145636
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

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide (CID 164821528) is 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide is CC(C)[C@@H](C)NC(=O)N1CC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide?
The InChIKey is HTFQMXDEYHIBCC-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-6(2)7(3)14-8(16)15-4-9(17,5-15)10(11,12)13/h6-7,17H,4-5H2,1-3H3,(H,14,16)/t7-/m1/s1.
What are the key properties of 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide?
3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide is sourced from PubChem (CID 164821528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).