3,3-difluoro-N-propylazetidine-1-carboxamide;ethane

C9H18F2N2O — CID 165138936

IUPAC3,3-difluoro-N-propylazetidine-1-carboxamide;ethane
SMILESCC.CCCNC(=O)N1CC(F)(F)C1
InChIInChI=1S/C7H12F2N2O.C2H6/c1-2-3-10-6(12)11-4-7(8,9)5-11;1-2/h2-5H2,1H3,(H,10,12);1-2H3
InChIKeyKZEKVERTHLQBHP-UHFFFAOYSA-N
MW208.25 g/mol
LogP2.08
Rot. Bonds2

About 3,3-difluoro-N-propylazetidine-1-carboxamide;ethane

3,3-difluoro-N-propylazetidine-1-carboxamide;ethane (PubChem CID 165138936) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is 3,3-difluoro-N-propylazetidine-1-carboxamide;ethane.

Molecular Properties

Compound Name3,3-difluoro-N-propylazetidine-1-carboxamide;ethane
PubChem CID165138936
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name3,3-difluoro-N-propylazetidine-1-carboxamide;ethane
SMILESCC.CCCNC(=O)N1CC(F)(F)C1
InChIInChI=1S/C7H12F2N2O.C2H6/c1-2-3-10-6(12)11-4-7(8,9)5-11;1-2/h2-5H2,1H3,(H,10,12);1-2H3
InChIKeyKZEKVERTHLQBHP-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyano-3-methyl-N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
CID 126772718
1-Propyl-3-(2,2,2-trifluoroethyl)urea
CID 54195899
N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide
CID 69092682
1-Butyl-1-ethyl-3-(2,2,2-trifluoroethyl)urea
CID 78891445
3,3-difluoro-N-methylazetidine-1-carboxamide
CID 118395187
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
N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
CID 130157470
3-fluoro-N-methylazetidine-1-carboxamide
CID 131086353
2-fluoro-N-methylazetidine-1-carboxamide
CID 141334052

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-propylazetidine-1-carboxamide;ethane?
The IUPAC name of 3,3-difluoro-N-propylazetidine-1-carboxamide;ethane (CID 165138936) is 3,3-difluoro-N-propylazetidine-1-carboxamide;ethane.
What is the SMILES notation for 3,3-difluoro-N-propylazetidine-1-carboxamide;ethane?
The canonical SMILES for 3,3-difluoro-N-propylazetidine-1-carboxamide;ethane is CC.CCCNC(=O)N1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-propylazetidine-1-carboxamide;ethane?
The InChIKey is KZEKVERTHLQBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O.C2H6/c1-2-3-10-6(12)11-4-7(8,9)5-11;1-2/h2-5H2,1H3,(H,10,12);1-2H3.
What are the key properties of 3,3-difluoro-N-propylazetidine-1-carboxamide;ethane?
3,3-difluoro-N-propylazetidine-1-carboxamide;ethane has a molecular weight of 208.25 g/mol, XLogP of 2.08, 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-propylazetidine-1-carboxamide;ethane is sourced from PubChem (CID 165138936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).