3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen

C8H16F2N2O — CID 165139144

IUPAC3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen
SMILESCC(C)CNC(=O)N1CC(F)(F)C1.[H][H]
InChIInChI=1S/C8H14F2N2O.H2/c1-6(2)3-11-7(13)12-4-8(9,10)5-12;/h6H,3-5H2,1-2H3,(H,11,13);1H
InChIKeyYGOQZKMSIDTKAM-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.55
Rot. Bonds2

About 3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen

3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen (PubChem CID 165139144) has the molecular formula C8H16F2N2O and a molecular weight of 194.23 g/mol. Its IUPAC name is 3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen
PubChem CID165139144
Molecular FormulaC8H16F2N2O
Molecular Weight194.23 g/mol
Exact Mass194.12
IUPAC Name3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen
SMILESCC(C)CNC(=O)N1CC(F)(F)C1.[H][H]
InChIInChI=1S/C8H14F2N2O.H2/c1-6(2)3-11-7(13)12-4-8(9,10)5-12;/h6H,3-5H2,1-2H3,(H,11,13);1H
InChIKeyYGOQZKMSIDTKAM-UHFFFAOYSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.55
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-(2-Methylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 115575963
N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide
CID 69092682
1-Tert-butyl-3-(2,2-difluoropropyl)urea
CID 87527292
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
1-[(2R)-2-methylbutyl]-3-(2,2,2-trifluoroethyl)urea
CID 137434256
3,3-difluoro-N-propylazetidine-1-carboxamide;ethane
CID 165138936

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen?
The IUPAC name of 3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen (CID 165139144) is 3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen?
The canonical SMILES for 3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen is CC(C)CNC(=O)N1CC(F)(F)C1.[H][H].
What is the InChIKey of 3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen?
The InChIKey is YGOQZKMSIDTKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O.H2/c1-6(2)3-11-7(13)12-4-8(9,10)5-12;/h6H,3-5H2,1-2H3,(H,11,13);1H.
What are the key properties of 3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen?
3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen has a molecular weight of 194.23 g/mol, XLogP of 1.55, 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-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 165139144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).