1-(4,4-difluoropentyl)-2-methylguanidine

C7H15F2N3 — CID 171793010

IUPAC1-(4,4-difluoropentyl)-2-methylguanidine
SMILESC/N=C(\N)NCCCC(C)(F)F
InChIInChI=1S/C7H15F2N3/c1-7(8,9)4-3-5-12-6(10)11-2/h3-5H2,1-2H3,(H3,10,11,12)
InChIKeyFHZIVRKLEAAHFE-UHFFFAOYSA-N
MW179.21 g/mol
LogP0.96
Rot. Bonds4

About 1-(4,4-difluoropentyl)-2-methylguanidine

1-(4,4-difluoropentyl)-2-methylguanidine (PubChem CID 171793010) has the molecular formula C7H15F2N3 and a molecular weight of 179.21 g/mol. Its IUPAC name is 1-(4,4-difluoropentyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(4,4-difluoropentyl)-2-methylguanidine
PubChem CID171793010
Molecular FormulaC7H15F2N3
Molecular Weight179.21 g/mol
Exact Mass179.12
IUPAC Name1-(4,4-difluoropentyl)-2-methylguanidine
SMILESC/N=C(\N)NCCCC(C)(F)F
InChIInChI=1S/C7H15F2N3/c1-7(8,9)4-3-5-12-6(10)11-2/h3-5H2,1-2H3,(H3,10,11,12)
InChIKeyFHZIVRKLEAAHFE-UHFFFAOYSA-N
XLogP0.96
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-(4,4-difluoropentyl)-2-methylguanidine?
The IUPAC name of 1-(4,4-difluoropentyl)-2-methylguanidine (CID 171793010) is 1-(4,4-difluoropentyl)-2-methylguanidine.
What is the SMILES notation for 1-(4,4-difluoropentyl)-2-methylguanidine?
The canonical SMILES for 1-(4,4-difluoropentyl)-2-methylguanidine is C/N=C(\N)NCCCC(C)(F)F.
What is the InChIKey of 1-(4,4-difluoropentyl)-2-methylguanidine?
The InChIKey is FHZIVRKLEAAHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3/c1-7(8,9)4-3-5-12-6(10)11-2/h3-5H2,1-2H3,(H3,10,11,12).
What are the key properties of 1-(4,4-difluoropentyl)-2-methylguanidine?
1-(4,4-difluoropentyl)-2-methylguanidine has a molecular weight of 179.21 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropentyl)-2-methylguanidine is sourced from PubChem (CID 171793010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).