2,2-difluoroazetidine-1-carboxamide

C4H6F2N2O — CID 137352276

IUPAC2,2-difluoroazetidine-1-carboxamide
SMILESNC(=O)N1CCC1(F)F
InChIInChI=1S/C4H6F2N2O/c5-4(6)1-2-8(4)3(7)9/h1-2H2,(H2,7,9)
InChIKeyOVVNGRMQHGSIBB-UHFFFAOYSA-N
MW136.10 g/mol
LogP0.36
Rot. Bonds

About 2,2-difluoroazetidine-1-carboxamide

2,2-difluoroazetidine-1-carboxamide (PubChem CID 137352276) has the molecular formula C4H6F2N2O and a molecular weight of 136.10 g/mol. Its IUPAC name is 2,2-difluoroazetidine-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoroazetidine-1-carboxamide
PubChem CID137352276
Molecular FormulaC4H6F2N2O
Molecular Weight136.10 g/mol
Exact Mass136.04
IUPAC Name2,2-difluoroazetidine-1-carboxamide
SMILESNC(=O)N1CCC1(F)F
InChIInChI=1S/C4H6F2N2O/c5-4(6)1-2-8(4)3(7)9/h1-2H2,(H2,7,9)
InChIKeyOVVNGRMQHGSIBB-UHFFFAOYSA-N
XLogP0.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Azetidine-1-carboxamide
CID 17992338
N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide
CID 69092682
1-(Difluoromethyl)-1-propylurea
CID 87440781
1-Propyl-1-(trifluoromethyl)urea
CID 87440798
2-Fluoroazetidine-1-carboxamide
CID 118168930
3,3-difluoro-N-methylazetidine-1-carboxamide
CID 118395187
1-(2,2-Difluoropropyl)-1-methylurea
CID 118626521
N-ethyl-3,3-difluoroazetidine-1-carboxamide
CID 122269483
3,3-difluoro-N-propylazetidine-1-carboxamide
CID 122269486
3,3-Difluoroazetidine-1-carboxamide
CID 123290716
3-Fluoroazetidine-1-carboxamide
CID 126992888
N-(2,2,2-trifluoroethyl)azetidine-1-carboxamide
CID 130157470

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroazetidine-1-carboxamide?
The IUPAC name of 2,2-difluoroazetidine-1-carboxamide (CID 137352276) is 2,2-difluoroazetidine-1-carboxamide.
What is the SMILES notation for 2,2-difluoroazetidine-1-carboxamide?
The canonical SMILES for 2,2-difluoroazetidine-1-carboxamide is NC(=O)N1CCC1(F)F.
What is the InChIKey of 2,2-difluoroazetidine-1-carboxamide?
The InChIKey is OVVNGRMQHGSIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N2O/c5-4(6)1-2-8(4)3(7)9/h1-2H2,(H2,7,9).
What are the key properties of 2,2-difluoroazetidine-1-carboxamide?
2,2-difluoroazetidine-1-carboxamide has a molecular weight of 136.10 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroazetidine-1-carboxamide is sourced from PubChem (CID 137352276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).