3-fluoro-3-methyl-N-propan-2-ylazetidine-1-carboxamide

C8H15FN2O — CID 130918209

IUPAC3-fluoro-3-methyl-N-propan-2-ylazetidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(C)(F)C1
InChIInChI=1S/C8H15FN2O/c1-6(2)10-7(12)11-4-8(3,9)5-11/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyMZTAIWNZMALRRR-UHFFFAOYSA-N
MW174.22 g/mol
LogP1.15
Rot. Bonds1

About 3-fluoro-3-methyl-N-propan-2-ylazetidine-1-carboxamide

3-fluoro-3-methyl-N-propan-2-ylazetidine-1-carboxamide (PubChem CID 130918209) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is 3-fluoro-3-methyl-N-propan-2-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-3-methyl-N-propan-2-ylazetidine-1-carboxamide
PubChem CID130918209
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name3-fluoro-3-methyl-N-propan-2-ylazetidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(C)(F)C1
InChIInChI=1S/C8H15FN2O/c1-6(2)10-7(12)11-4-8(3,9)5-11/h6H,4-5H2,1-3H3,(H,10,12)
InChIKeyMZTAIWNZMALRRR-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-methylazetidine-1-carboxamide
CID 81908858
N-propan-2-ylazetidine-1-carboxamide
CID 126972093
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
3-fluoro-N-methylazetidine-1-carboxamide
CID 131086353
2-fluoro-N-methylazetidine-1-carboxamide
CID 141334052
3,3-difluoro-N-propylazetidine-1-carboxamide;ethane
CID 165138936
3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide
CID 165139077
3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen
CID 165139144
1-(Fluoromethyl)-1-methyl-3-propan-2-ylurea
CID 166564950

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-N-propan-2-ylazetidine-1-carboxamide?
The IUPAC name of 3-fluoro-3-methyl-N-propan-2-ylazetidine-1-carboxamide (CID 130918209) is 3-fluoro-3-methyl-N-propan-2-ylazetidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-3-methyl-N-propan-2-ylazetidine-1-carboxamide?
The canonical SMILES for 3-fluoro-3-methyl-N-propan-2-ylazetidine-1-carboxamide is CC(C)NC(=O)N1CC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-N-propan-2-ylazetidine-1-carboxamide?
The InChIKey is MZTAIWNZMALRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O/c1-6(2)10-7(12)11-4-8(3,9)5-11/h6H,4-5H2,1-3H3,(H,10,12).
What are the key properties of 3-fluoro-3-methyl-N-propan-2-ylazetidine-1-carboxamide?
3-fluoro-3-methyl-N-propan-2-ylazetidine-1-carboxamide has a molecular weight of 174.22 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-N-propan-2-ylazetidine-1-carboxamide is sourced from PubChem (CID 130918209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).