4-(cyclopentyloxymethyl)-3-fluorobenzenecarboximidamide

C13H17FN2O — CID 24691775

IUPAC4-(cyclopentyloxymethyl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COC2CCCC2)c(F)c1
InChIInChI=1S/C13H17FN2O/c14-12-7-9(13(15)16)5-6-10(12)8-17-11-3-1-2-4-11/h5-7,11H,1-4,8H2,(H3,15,16)
InChIKeyRRZVZCPRKWHSHP-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.57
Rot. Bonds4

About 4-(cyclopentyloxymethyl)-3-fluorobenzenecarboximidamide

4-(cyclopentyloxymethyl)-3-fluorobenzenecarboximidamide (PubChem CID 24691775) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 4-(cyclopentyloxymethyl)-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(cyclopentyloxymethyl)-3-fluorobenzenecarboximidamide
PubChem CID24691775
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name4-(cyclopentyloxymethyl)-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COC2CCCC2)c(F)c1
InChIInChI=1S/C13H17FN2O/c14-12-7-9(13(15)16)5-6-10(12)8-17-11-3-1-2-4-11/h5-7,11H,1-4,8H2,(H3,15,16)
InChIKeyRRZVZCPRKWHSHP-UHFFFAOYSA-N
XLogP2.57
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.57
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentyloxymethyl)-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-(cyclopentyloxymethyl)-3-fluorobenzenecarboximidamide (CID 24691775) is 4-(cyclopentyloxymethyl)-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-(cyclopentyloxymethyl)-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-(cyclopentyloxymethyl)-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(COC2CCCC2)c(F)c1.
What is the InChIKey of 4-(cyclopentyloxymethyl)-3-fluorobenzenecarboximidamide?
The InChIKey is RRZVZCPRKWHSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-12-7-9(13(15)16)5-6-10(12)8-17-11-3-1-2-4-11/h5-7,11H,1-4,8H2,(H3,15,16).
What are the key properties of 4-(cyclopentyloxymethyl)-3-fluorobenzenecarboximidamide?
4-(cyclopentyloxymethyl)-3-fluorobenzenecarboximidamide has a molecular weight of 236.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentyloxymethyl)-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 24691775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).