3,3-difluoro-N'-hydroxycyclobutane-1-carboximidamide

C5H8F2N2O — CID 154230645

IUPAC3,3-difluoro-N'-hydroxycyclobutane-1-carboximidamide
SMILESNC(=NO)C1CC(F)(F)C1
InChIInChI=1S/C5H8F2N2O/c6-5(7)1-3(2-5)4(8)9-10/h3,10H,1-2H2,(H2,8,9)
InChIKeyRMCBPBWETJTGMP-UHFFFAOYSA-N
MW150.13 g/mol
LogP0.78
Rot. Bonds1

About 3,3-difluoro-N'-hydroxycyclobutane-1-carboximidamide

3,3-difluoro-N'-hydroxycyclobutane-1-carboximidamide (PubChem CID 154230645) has the molecular formula C5H8F2N2O and a molecular weight of 150.13 g/mol. Its IUPAC name is 3,3-difluoro-N'-hydroxycyclobutane-1-carboximidamide.

Molecular Properties

Compound Name3,3-difluoro-N'-hydroxycyclobutane-1-carboximidamide
PubChem CID154230645
Molecular FormulaC5H8F2N2O
Molecular Weight150.13 g/mol
Exact Mass150.06
IUPAC Name3,3-difluoro-N'-hydroxycyclobutane-1-carboximidamide
SMILESNC(=NO)C1CC(F)(F)C1
InChIInChI=1S/C5H8F2N2O/c6-5(7)1-3(2-5)4(8)9-10/h3,10H,1-2H2,(H2,8,9)
InChIKeyRMCBPBWETJTGMP-UHFFFAOYSA-N
XLogP0.78
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxycyclobutanecarboximidamide
CID 3413554
2-(3,3-difluorocyclobutyl)-N'-hydroxyethanimidamide
CID 121208321
rac-(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclopropane-1-carboximidamide
CID 146082468
rac-(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclobutane-1-carboximidamide
CID 155819944
3,3-Difluorocyclobutanecarboxamidine;hydrochloride
CID 105434631
3,3-Difluorocyclobutane-1-carboximidamide
CID 105434632
CID 115513866
CID 115513866
(Z)-3,3-difluoro-N'-hydroxycyclobutane-1-carboximidamide
CID 118138997
5,5,5-trifluoro-N'-hydroxypentanimidamide
CID 132140073
2,2,3,3-tetrafluoro-N'-hydroxycyclobutane-1-carboximidamide
CID 5194969
CID 124570281
CID 124570281
CID 129321631
CID 129321631

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N'-hydroxycyclobutane-1-carboximidamide?
The IUPAC name of 3,3-difluoro-N'-hydroxycyclobutane-1-carboximidamide (CID 154230645) is 3,3-difluoro-N'-hydroxycyclobutane-1-carboximidamide.
What is the SMILES notation for 3,3-difluoro-N'-hydroxycyclobutane-1-carboximidamide?
The canonical SMILES for 3,3-difluoro-N'-hydroxycyclobutane-1-carboximidamide is NC(=NO)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N'-hydroxycyclobutane-1-carboximidamide?
The InChIKey is RMCBPBWETJTGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2O/c6-5(7)1-3(2-5)4(8)9-10/h3,10H,1-2H2,(H2,8,9).
What are the key properties of 3,3-difluoro-N'-hydroxycyclobutane-1-carboximidamide?
3,3-difluoro-N'-hydroxycyclobutane-1-carboximidamide has a molecular weight of 150.13 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N'-hydroxycyclobutane-1-carboximidamide is sourced from PubChem (CID 154230645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).