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

C10H17F3N2O2 — CID 167135161

IUPACN-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CC(OC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-6(2)7(3)14-9(16)15-4-8(5-15)17-10(11,12)13/h6-8H,4-5H2,1-3H3,(H,14,16)/t7-/m1/s1
InChIKeyVHHKTVFDQSCBQH-SSDOTTSWSA-N
MW254.25 g/mol
LogP1.96
Rot. Bonds3

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

N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide (PubChem CID 167135161) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide
PubChem CID167135161
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CC(OC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-6(2)7(3)14-9(16)15-4-8(5-15)17-10(11,12)13/h6-8H,4-5H2,1-3H3,(H,14,16)/t7-/m1/s1
InChIKeyVHHKTVFDQSCBQH-SSDOTTSWSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide (CID 167135161) is N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide is CC(C)[C@@H](C)NC(=O)N1CC(OC(F)(F)F)C1.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide?
The InChIKey is VHHKTVFDQSCBQH-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-6(2)7(3)14-9(16)15-4-8(5-15)17-10(11,12)13/h6-8H,4-5H2,1-3H3,(H,14,16)/t7-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide?
N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethoxy)azetidine-1-carboxamide is sourced from PubChem (CID 167135161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).