3,3-difluoroazetidine-1-carboxamide;ethane;molecular hydrogen

C6H14F2N2O — CID 145166691

IUPAC3,3-difluoroazetidine-1-carboxamide;ethane;molecular hydrogen
SMILESCC.NC(=O)N1CC(F)(F)C1.[H][H]
InChIInChI=1S/C4H6F2N2O.C2H6.H2/c5-4(6)1-8(2-4)3(7)9;1-2;/h1-2H2,(H2,7,9);1-2H3;1H
InChIKeyHDFKYFYUTBJSJL-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.29
Rot. Bonds

About 3,3-difluoroazetidine-1-carboxamide;ethane;molecular hydrogen

3,3-difluoroazetidine-1-carboxamide;ethane;molecular hydrogen (PubChem CID 145166691) has the molecular formula C6H14F2N2O and a molecular weight of 168.19 g/mol. Its IUPAC name is 3,3-difluoroazetidine-1-carboxamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name3,3-difluoroazetidine-1-carboxamide;ethane;molecular hydrogen
PubChem CID145166691
Molecular FormulaC6H14F2N2O
Molecular Weight168.19 g/mol
Exact Mass168.11
IUPAC Name3,3-difluoroazetidine-1-carboxamide;ethane;molecular hydrogen
SMILESCC.NC(=O)N1CC(F)(F)C1.[H][H]
InChIInChI=1S/C4H6F2N2O.C2H6.H2/c5-4(6)1-8(2-4)3(7)9;1-2;/h1-2H2,(H2,7,9);1-2H3;1H
InChIKeyHDFKYFYUTBJSJL-UHFFFAOYSA-N
XLogP1.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Azetidine-1-carboxamide
CID 17992338
1-Butyl-1-(trifluoromethyl)urea
CID 21511699
N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide
CID 69092682
1-(Difluoromethyl)-1-ethylurea
CID 87181884
1-(Difluoromethyl)-1-propylurea
CID 87440781
1-Propyl-1-(trifluoromethyl)urea
CID 87440798
1-Butan-2-yl-1-(difluoromethyl)urea
CID 87440991
1-Butan-2-yl-1-(trifluoromethyl)urea
CID 87440995
1-Butyl-1-(difluoromethyl)urea
CID 87441129
2-Fluoroazetidine-1-carboxamide
CID 118168930
3,3-difluoro-N-methylazetidine-1-carboxamide
CID 118395187
1-(2,2-Difluoropropyl)-1-methylurea
CID 118626521

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroazetidine-1-carboxamide;ethane;molecular hydrogen?
The IUPAC name of 3,3-difluoroazetidine-1-carboxamide;ethane;molecular hydrogen (CID 145166691) is 3,3-difluoroazetidine-1-carboxamide;ethane;molecular hydrogen.
What is the SMILES notation for 3,3-difluoroazetidine-1-carboxamide;ethane;molecular hydrogen?
The canonical SMILES for 3,3-difluoroazetidine-1-carboxamide;ethane;molecular hydrogen is CC.NC(=O)N1CC(F)(F)C1.[H][H].
What is the InChIKey of 3,3-difluoroazetidine-1-carboxamide;ethane;molecular hydrogen?
The InChIKey is HDFKYFYUTBJSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N2O.C2H6.H2/c5-4(6)1-8(2-4)3(7)9;1-2;/h1-2H2,(H2,7,9);1-2H3;1H.
What are the key properties of 3,3-difluoroazetidine-1-carboxamide;ethane;molecular hydrogen?
3,3-difluoroazetidine-1-carboxamide;ethane;molecular hydrogen has a molecular weight of 168.19 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroazetidine-1-carboxamide;ethane;molecular hydrogen is sourced from PubChem (CID 145166691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).