2-(2,2-difluoroethyl)-1-prop-2-enylguanidine

C6H11F2N3 — CID 131202418

IUPAC2-(2,2-difluoroethyl)-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CC(F)F
InChIInChI=1S/C6H11F2N3/c1-2-3-10-6(9)11-4-5(7)8/h2,5H,1,3-4H2,(H3,9,10,11)
InChIKeyKZTBTTMAFPVBEC-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.34
Rot. Bonds4

About 2-(2,2-difluoroethyl)-1-prop-2-enylguanidine

2-(2,2-difluoroethyl)-1-prop-2-enylguanidine (PubChem CID 131202418) has the molecular formula C6H11F2N3 and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-1-prop-2-enylguanidine
PubChem CID131202418
Molecular FormulaC6H11F2N3
Molecular Weight163.17 g/mol
Exact Mass163.09
IUPAC Name2-(2,2-difluoroethyl)-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CC(F)F
InChIInChI=1S/C6H11F2N3/c1-2-3-10-6(9)11-4-5(7)8/h2,5H,1,3-4H2,(H3,9,10,11)
InChIKeyKZTBTTMAFPVBEC-UHFFFAOYSA-N
XLogP0.34
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.34
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'}

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Related Compounds

1-prop-2-enyl-2-[2-(3,4,5-trifluorophenyl)ethyl]guanidine
CID 136741989
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
CID 110927121
2-[2-(3-methylbutoxy)ethyl]-1-prop-2-enylguanidine;hydroiodide
CID 136700125
1-(2,2-difluoroethyl)-3-prop-2-enylurea;hydrochloride
CID 131224415
2-[[3-[[[amino-(prop-2-enylamino)methylidene]amino]methyl]phenyl]methyl]-1-prop-2-enylguanidine;hydroiodide
CID 110062247
2-[4-(diethylamino)butyl]-1-prop-2-enylguanidine
CID 136700136
1-prop-2-enyl-2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 136921209
2-(2-tert-butylsulfonylethyl)-1-prop-2-enylguanidine
CID 136703895
2-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-prop-2-enylguanidine
CID 54726546
2-[(1-methylsulfonylcyclopropyl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 120662733
4-[[[amino-(prop-2-enylamino)methylidene]amino]methyl]benzamide
CID 110918617
2-(2-tert-butylsulfonylethyl)-1-prop-2-enylguanidine;hydroiodide
CID 136703894

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-1-prop-2-enylguanidine?
The IUPAC name of 2-(2,2-difluoroethyl)-1-prop-2-enylguanidine (CID 131202418) is 2-(2,2-difluoroethyl)-1-prop-2-enylguanidine.
What is the SMILES notation for 2-(2,2-difluoroethyl)-1-prop-2-enylguanidine?
The canonical SMILES for 2-(2,2-difluoroethyl)-1-prop-2-enylguanidine is C=CCN/C(N)=N/CC(F)F.
What is the InChIKey of 2-(2,2-difluoroethyl)-1-prop-2-enylguanidine?
The InChIKey is KZTBTTMAFPVBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N3/c1-2-3-10-6(9)11-4-5(7)8/h2,5H,1,3-4H2,(H3,9,10,11).
What are the key properties of 2-(2,2-difluoroethyl)-1-prop-2-enylguanidine?
2-(2,2-difluoroethyl)-1-prop-2-enylguanidine has a molecular weight of 163.17 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-1-prop-2-enylguanidine is sourced from PubChem (CID 131202418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).