2-ethylguanidine;fluorobenzene;hydrochloride

C9H15ClFN3 — CID 175305012

IUPAC2-ethylguanidine;fluorobenzene;hydrochloride
SMILESCCN=C(N)N.Cl.Fc1ccccc1
InChIInChI=1S/C6H5F.C3H9N3.ClH/c7-6-4-2-1-3-5-6;1-2-6-3(4)5;/h1-5H;2H2,1H3,(H4,4,5,6);1H
InChIKeyNSCLATCMSPCARV-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.53
Rot. Bonds1

About 2-ethylguanidine;fluorobenzene;hydrochloride

2-ethylguanidine;fluorobenzene;hydrochloride (PubChem CID 175305012) has the molecular formula C9H15ClFN3 and a molecular weight of 219.69 g/mol. Its IUPAC name is 2-ethylguanidine;fluorobenzene;hydrochloride.

Molecular Properties

Compound Name2-ethylguanidine;fluorobenzene;hydrochloride
PubChem CID175305012
Molecular FormulaC9H15ClFN3
Molecular Weight219.69 g/mol
Exact Mass219.09
IUPAC Name2-ethylguanidine;fluorobenzene;hydrochloride
SMILESCCN=C(N)N.Cl.Fc1ccccc1
InChIInChI=1S/C6H5F.C3H9N3.ClH/c7-6-4-2-1-3-5-6;1-2-6-3(4)5;/h1-5H;2H2,1H3,(H4,4,5,6);1H
InChIKeyNSCLATCMSPCARV-UHFFFAOYSA-N
XLogP1.53
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.53
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'}

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Related Compounds

fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
fluorobenzene;hexane
CID 158112243
fluorobenzene;isocyanatoethane
CID 174836485
fluorobenzene;N-propan-2-ylidenehydroxylamine
CID 174410539
2-[(3-fluorophenyl)methyl]guanidine
CID 14963573
fluorobenzene;propanoyl chloride
CID 161139565
fluorobenzene fluoride
CID 139243602
fluorobenzene;nickel
CID 175250202
bis(4-fluorophenyl)methyl N'-ethylcarbamimidothioate
CID 8774927
N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide
CID 66065533
2-ethylguanidine;nitrous acid
CID 174966669
2-[2-(4-fluorophenyl)ethyl]guanidine
CID 7176009

Frequently Asked Questions

What is the IUPAC name of 2-ethylguanidine;fluorobenzene;hydrochloride?
The IUPAC name of 2-ethylguanidine;fluorobenzene;hydrochloride (CID 175305012) is 2-ethylguanidine;fluorobenzene;hydrochloride.
What is the SMILES notation for 2-ethylguanidine;fluorobenzene;hydrochloride?
The canonical SMILES for 2-ethylguanidine;fluorobenzene;hydrochloride is CCN=C(N)N.Cl.Fc1ccccc1.
What is the InChIKey of 2-ethylguanidine;fluorobenzene;hydrochloride?
The InChIKey is NSCLATCMSPCARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F.C3H9N3.ClH/c7-6-4-2-1-3-5-6;1-2-6-3(4)5;/h1-5H;2H2,1H3,(H4,4,5,6);1H.
What are the key properties of 2-ethylguanidine;fluorobenzene;hydrochloride?
2-ethylguanidine;fluorobenzene;hydrochloride has a molecular weight of 219.69 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylguanidine;fluorobenzene;hydrochloride is sourced from PubChem (CID 175305012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).