3,3-difluoro-N-propan-2-ylazetidine-1-carboxamide

C7H12F2N2O — CID 122269482

IUPAC3,3-difluoro-N-propan-2-ylazetidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(F)(F)C1
InChIInChI=1S/C7H12F2N2O/c1-5(2)10-6(12)11-3-7(8,9)4-11/h5H,3-4H2,1-2H3,(H,10,12)
InChIKeyYQJTXVJKSFWOGO-UHFFFAOYSA-N
MW178.18 g/mol
LogP1.06
Rot. Bonds1

About 3,3-difluoro-N-propan-2-ylazetidine-1-carboxamide

3,3-difluoro-N-propan-2-ylazetidine-1-carboxamide (PubChem CID 122269482) has the molecular formula C7H12F2N2O and a molecular weight of 178.18 g/mol. Its IUPAC name is 3,3-difluoro-N-propan-2-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-propan-2-ylazetidine-1-carboxamide
PubChem CID122269482
Molecular FormulaC7H12F2N2O
Molecular Weight178.18 g/mol
Exact Mass178.09
IUPAC Name3,3-difluoro-N-propan-2-ylazetidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(F)(F)C1
InChIInChI=1S/C7H12F2N2O/c1-5(2)10-6(12)11-3-7(8,9)4-11/h5H,3-4H2,1-2H3,(H,10,12)
InChIKeyYQJTXVJKSFWOGO-UHFFFAOYSA-N
XLogP1.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.06
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
3-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-1,1-dimethylurea
CID 13789390
1-Cyclobutyl-3-(trifluoromethyl)urea
CID 21511690
1-Propyl-3-(2,2,2-trifluoroethyl)urea
CID 54195899
1-Propan-2-yl-3-(1,1,1-trifluoropropan-2-yl)urea
CID 57846568
N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide
CID 69092682
1-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-3-propan-2-ylurea
CID 71672205
1-(2,2-Difluoroethyl)-3-propan-2-ylurea
CID 87414397
1-Methyl-3-(1,1,1-trifluoropropan-2-yl)urea
CID 89147735
1-Propan-2-yl-3-(2,2,2-trifluoroethyl)urea
CID 90876530
1-Propan-2-yl-3-(trifluoromethyl)urea
CID 108865825

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-propan-2-ylazetidine-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-propan-2-ylazetidine-1-carboxamide (CID 122269482) is 3,3-difluoro-N-propan-2-ylazetidine-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-propan-2-ylazetidine-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-propan-2-ylazetidine-1-carboxamide is CC(C)NC(=O)N1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-propan-2-ylazetidine-1-carboxamide?
The InChIKey is YQJTXVJKSFWOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O/c1-5(2)10-6(12)11-3-7(8,9)4-11/h5H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 3,3-difluoro-N-propan-2-ylazetidine-1-carboxamide?
3,3-difluoro-N-propan-2-ylazetidine-1-carboxamide has a molecular weight of 178.18 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-propan-2-ylazetidine-1-carboxamide is sourced from PubChem (CID 122269482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).