2-(2-fluoroethyl)-1-prop-2-enylguanidine

C6H12FN3 — CID 137216592

IUPAC2-(2-fluoroethyl)-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCF
InChIInChI=1S/C6H12FN3/c1-2-4-9-6(8)10-5-3-7/h2H,1,3-5H2,(H3,8,9,10)
InChIKeyAUQOFQFEAYYUPN-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.05
Rot. Bonds4

About 2-(2-fluoroethyl)-1-prop-2-enylguanidine

2-(2-fluoroethyl)-1-prop-2-enylguanidine (PubChem CID 137216592) has the molecular formula C6H12FN3 and a molecular weight of 145.18 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-(2-fluoroethyl)-1-prop-2-enylguanidine
PubChem CID137216592
Molecular FormulaC6H12FN3
Molecular Weight145.18 g/mol
Exact Mass145.10
IUPAC Name2-(2-fluoroethyl)-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CCF
InChIInChI=1S/C6H12FN3/c1-2-4-9-6(8)10-5-3-7/h2H,1,3-5H2,(H3,8,9,10)
InChIKeyAUQOFQFEAYYUPN-UHFFFAOYSA-N
XLogP0.05
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2-fluoroethyl)-1-prop-2-enylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Allyl-3-(4-aminobutyl)guanidine
CID 135469301
Diallylguanidine
CID 15368370
Biguanide, 1-allyl-, monohydrochloride
CID 176517138
2-Methyl-1-prop-2-enyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111548419
2-(2,2-Difluoroethyl)-1-prop-2-enylguanidine
CID 131202418
1-(2-Fluoroethyl)-2-(2-methylprop-2-enyl)guanidine
CID 131224434
1-Ethyl-3-prop-2-enyl-2-(3,3,3-trifluoropropyl)guanidine
CID 136926181
N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
CID 12024894
2-Methyl-1-prop-2-enylguanidine
CID 18952267
1-(Diaminomethylidene)-2-methyl-3-prop-2-enylguanidine
CID 21534138
N,N'-bis(allyl)-N"-cyanoguanidine
CID 54000790
1,2-Dimethyl-3-prop-2-enylguanidine
CID 55218998

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-1-prop-2-enylguanidine?
The IUPAC name of 2-(2-fluoroethyl)-1-prop-2-enylguanidine (CID 137216592) is 2-(2-fluoroethyl)-1-prop-2-enylguanidine.
What is the SMILES notation for 2-(2-fluoroethyl)-1-prop-2-enylguanidine?
The canonical SMILES for 2-(2-fluoroethyl)-1-prop-2-enylguanidine is C=CCN/C(N)=N/CCF.
What is the InChIKey of 2-(2-fluoroethyl)-1-prop-2-enylguanidine?
The InChIKey is AUQOFQFEAYYUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN3/c1-2-4-9-6(8)10-5-3-7/h2H,1,3-5H2,(H3,8,9,10).
What are the key properties of 2-(2-fluoroethyl)-1-prop-2-enylguanidine?
2-(2-fluoroethyl)-1-prop-2-enylguanidine has a molecular weight of 145.18 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-1-prop-2-enylguanidine is sourced from PubChem (CID 137216592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).