2-(4-fluorocyclohexyl)-1-hydroxyguanidine

C7H14FN3O — CID 51651507

IUPAC2-(4-fluorocyclohexyl)-1-hydroxyguanidine
SMILESN/C(=N\C1CCC(F)CC1)NO
InChIInChI=1S/C7H14FN3O/c8-5-1-3-6(4-2-5)10-7(9)11-12/h5-6,12H,1-4H2,(H3,9,10,11)
InChIKeyVLCCBNMTPBGBAK-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.56
Rot. Bonds1

About 2-(4-fluorocyclohexyl)-1-hydroxyguanidine

2-(4-fluorocyclohexyl)-1-hydroxyguanidine (PubChem CID 51651507) has the molecular formula C7H14FN3O and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-(4-fluorocyclohexyl)-1-hydroxyguanidine.

Molecular Properties

Compound Name2-(4-fluorocyclohexyl)-1-hydroxyguanidine
PubChem CID51651507
Molecular FormulaC7H14FN3O
Molecular Weight175.21 g/mol
Exact Mass175.11
IUPAC Name2-(4-fluorocyclohexyl)-1-hydroxyguanidine
SMILESN/C(=N\C1CCC(F)CC1)NO
InChIInChI=1S/C7H14FN3O/c8-5-1-3-6(4-2-5)10-7(9)11-12/h5-6,12H,1-4H2,(H3,9,10,11)
InChIKeyVLCCBNMTPBGBAK-UHFFFAOYSA-N
XLogP0.56
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.56
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexyl)-1-hydroxyguanidine?
The IUPAC name of 2-(4-fluorocyclohexyl)-1-hydroxyguanidine (CID 51651507) is 2-(4-fluorocyclohexyl)-1-hydroxyguanidine.
What is the SMILES notation for 2-(4-fluorocyclohexyl)-1-hydroxyguanidine?
The canonical SMILES for 2-(4-fluorocyclohexyl)-1-hydroxyguanidine is N/C(=N\C1CCC(F)CC1)NO.
What is the InChIKey of 2-(4-fluorocyclohexyl)-1-hydroxyguanidine?
The InChIKey is VLCCBNMTPBGBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN3O/c8-5-1-3-6(4-2-5)10-7(9)11-12/h5-6,12H,1-4H2,(H3,9,10,11).
What are the key properties of 2-(4-fluorocyclohexyl)-1-hydroxyguanidine?
2-(4-fluorocyclohexyl)-1-hydroxyguanidine has a molecular weight of 175.21 g/mol, XLogP of 0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexyl)-1-hydroxyguanidine is sourced from PubChem (CID 51651507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).