trans-(1S,2R)-2-fluoro-N'-hydroxycyclopropane-1-carboximidamide

C4H7FN2O — CID 174048238

IUPACtrans-(1S,2R)-2-fluoro-N'-hydroxycyclopropane-1-carboximidamide
SMILESNC(=NO)[C@@H]1C[C@H]1F
InChIInChI=1S/C4H7FN2O/c5-3-1-2(3)4(6)7-8/h2-3,8H,1H2,(H2,6,7)/t2-,3-/m1/s1
InChIKeyUVUKPZVXRLAASF-PWNYCUMCSA-N
MW118.11 g/mol
LogP0.09
Rot. Bonds1

About trans-(1S,2R)-2-fluoro-N'-hydroxycyclopropane-1-carboximidamide

trans-(1S,2R)-2-fluoro-N'-hydroxycyclopropane-1-carboximidamide (PubChem CID 174048238) has the molecular formula C4H7FN2O and a molecular weight of 118.11 g/mol. Its IUPAC name is trans-(1S,2R)-2-fluoro-N'-hydroxycyclopropane-1-carboximidamide.

Molecular Properties

Compound Nametrans-(1S,2R)-2-fluoro-N'-hydroxycyclopropane-1-carboximidamide
PubChem CID174048238
Molecular FormulaC4H7FN2O
Molecular Weight118.11 g/mol
Exact Mass118.05
IUPAC Nametrans-(1S,2R)-2-fluoro-N'-hydroxycyclopropane-1-carboximidamide
SMILESNC(=NO)[C@@H]1C[C@H]1F
InChIInChI=1S/C4H7FN2O/c5-3-1-2(3)4(6)7-8/h2-3,8H,1H2,(H2,6,7)/t2-,3-/m1/s1
InChIKeyUVUKPZVXRLAASF-PWNYCUMCSA-N
XLogP0.09
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 50.09
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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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-fluoro-N'-hydroxycyclopropane-1-carboximidamide?
The IUPAC name of trans-(1S,2R)-2-fluoro-N'-hydroxycyclopropane-1-carboximidamide (CID 174048238) is trans-(1S,2R)-2-fluoro-N'-hydroxycyclopropane-1-carboximidamide.
What is the SMILES notation for trans-(1S,2R)-2-fluoro-N'-hydroxycyclopropane-1-carboximidamide?
The canonical SMILES for trans-(1S,2R)-2-fluoro-N'-hydroxycyclopropane-1-carboximidamide is NC(=NO)[C@@H]1C[C@H]1F.
What is the InChIKey of trans-(1S,2R)-2-fluoro-N'-hydroxycyclopropane-1-carboximidamide?
The InChIKey is UVUKPZVXRLAASF-PWNYCUMCSA-N. The full InChI is InChI=1S/C4H7FN2O/c5-3-1-2(3)4(6)7-8/h2-3,8H,1H2,(H2,6,7)/t2-,3-/m1/s1.
What are the key properties of trans-(1S,2R)-2-fluoro-N'-hydroxycyclopropane-1-carboximidamide?
trans-(1S,2R)-2-fluoro-N'-hydroxycyclopropane-1-carboximidamide has a molecular weight of 118.11 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-fluoro-N'-hydroxycyclopropane-1-carboximidamide is sourced from PubChem (CID 174048238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).