N-tert-butyl-3,3-difluoroazetidine-1-carboxamide

C8H14F2N2O — CID 122269479

IUPACN-tert-butyl-3,3-difluoroazetidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC(F)(F)C1
InChIInChI=1S/C8H14F2N2O/c1-7(2,3)11-6(13)12-4-8(9,10)5-12/h4-5H2,1-3H3,(H,11,13)
InChIKeyZBPXAMCKWVOFNS-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.45
Rot. Bonds

About N-tert-butyl-3,3-difluoroazetidine-1-carboxamide

N-tert-butyl-3,3-difluoroazetidine-1-carboxamide (PubChem CID 122269479) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is N-tert-butyl-3,3-difluoroazetidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3,3-difluoroazetidine-1-carboxamide
PubChem CID122269479
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC NameN-tert-butyl-3,3-difluoroazetidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC(F)(F)C1
InChIInChI=1S/C8H14F2N2O/c1-7(2,3)11-6(13)12-4-8(9,10)5-12/h4-5H2,1-3H3,(H,11,13)
InChIKeyZBPXAMCKWVOFNS-UHFFFAOYSA-N
XLogP1.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)-1,1-bis(2-methylpropyl)urea
CID 3433139
N-(3,3,3-trifluoropropyl)azetidine-1-carboxamide
CID 69092682
1-Tert-butyl-3-(2,2-difluoropropyl)urea
CID 87527292
1-Tert-butyl-3-(2,2-difluorobutyl)urea
CID 88582203
3,3-difluoro-N-methylazetidine-1-carboxamide
CID 118395187
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
3,3-difluoro-N-propylazetidine-1-carboxamide;ethane
CID 165138936
3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide
CID 165139077
3,3-difluoro-N-(2-methylpropyl)azetidine-1-carboxamide;molecular hydrogen
CID 165139144
N-[(2R)-butan-2-yl]-3,3-difluoroazetidine-1-carboxamide
CID 167134973

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,3-difluoroazetidine-1-carboxamide?
The IUPAC name of N-tert-butyl-3,3-difluoroazetidine-1-carboxamide (CID 122269479) is N-tert-butyl-3,3-difluoroazetidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3,3-difluoroazetidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-3,3-difluoroazetidine-1-carboxamide is CC(C)(C)NC(=O)N1CC(F)(F)C1.
What is the InChIKey of N-tert-butyl-3,3-difluoroazetidine-1-carboxamide?
The InChIKey is ZBPXAMCKWVOFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c1-7(2,3)11-6(13)12-4-8(9,10)5-12/h4-5H2,1-3H3,(H,11,13).
What are the key properties of N-tert-butyl-3,3-difluoroazetidine-1-carboxamide?
N-tert-butyl-3,3-difluoroazetidine-1-carboxamide has a molecular weight of 192.21 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-difluoroazetidine-1-carboxamide is sourced from PubChem (CID 122269479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).