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

C9H16F2N2O — CID 167135157

IUPAC3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CC(F)(F)C1
InChIInChI=1S/C9H16F2N2O/c1-6(2)7(3)12-8(14)13-4-9(10,11)5-13/h6-7H,4-5H2,1-3H3,(H,12,14)/t7-/m1/s1
InChIKeyLMJMPAGNGNGFCY-SSDOTTSWSA-N
MW206.24 g/mol
LogP1.69
Rot. Bonds2

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

3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide (PubChem CID 167135157) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
PubChem CID167135157
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CC(F)(F)C1
InChIInChI=1S/C9H16F2N2O/c1-6(2)7(3)12-8(14)13-4-9(10,11)5-13/h6-7H,4-5H2,1-3H3,(H,12,14)/t7-/m1/s1
InChIKeyLMJMPAGNGNGFCY-SSDOTTSWSA-N
XLogP1.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1,1-bis(trifluoromethyl)propyl]-N'-(sec-butyl)urea
CID 2836461
1-Propan-2-yl-3-[3-(trifluoromethyl)cyclobutyl]urea
CID 132292235
N-(tert-butyl)-3,3-difluoroazetidine-1-carboxamide
CID 122269479
3,3-difluoro-N-isopropylazetidine-1-carboxamide
CID 122269482
N-ethyl-3,3-difluoroazetidine-1-carboxamide
CID 122269483
3,3-difluoro-N-propylazetidine-1-carboxamide
CID 122269486
1-(3,3-Difluorocyclobutyl)-1-methyl-3-(4-methylpentyl)urea
CID 153623506
1-[(2R)-3-methylbutan-2-yl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea
CID 164555572
1-(3,3-difluoro-1-methylcyclobutyl)-3-[(2R)-3-methylbutan-2-yl]urea
CID 164556261
3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)azetidine-1-carboxamide
CID 164821528
3,3-difluoro-N-propylazetidine-1-carboxamide;ethane
CID 165138936
3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide
CID 165139077

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide (CID 167135157) is 3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide is CC(C)[C@@H](C)NC(=O)N1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide?
The InChIKey is LMJMPAGNGNGFCY-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-6(2)7(3)12-8(14)13-4-9(10,11)5-13/h6-7H,4-5H2,1-3H3,(H,12,14)/t7-/m1/s1.
What are the key properties of 3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide?
3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide has a molecular weight of 206.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]azetidine-1-carboxamide is sourced from PubChem (CID 167135157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).