2-(1,1,1-trifluoropropan-2-yl)guanidine

C4H8F3N3 — CID 88924987

IUPAC2-(1,1,1-trifluoropropan-2-yl)guanidine
SMILESCC(N=C(N)N)C(F)(F)F
InChIInChI=1S/C4H8F3N3/c1-2(4(5,6)7)10-3(8)9/h2H,1H3,(H4,8,9,10)
InChIKeyZBMPORJNJKEOSK-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.21
Rot. Bonds1

About 2-(1,1,1-trifluoropropan-2-yl)guanidine

2-(1,1,1-trifluoropropan-2-yl)guanidine (PubChem CID 88924987) has the molecular formula C4H8F3N3 and a molecular weight of 155.12 g/mol. Its IUPAC name is 2-(1,1,1-trifluoropropan-2-yl)guanidine.

Molecular Properties

Compound Name2-(1,1,1-trifluoropropan-2-yl)guanidine
PubChem CID88924987
Molecular FormulaC4H8F3N3
Molecular Weight155.12 g/mol
Exact Mass155.07
IUPAC Name2-(1,1,1-trifluoropropan-2-yl)guanidine
SMILESCC(N=C(N)N)C(F)(F)F
InChIInChI=1S/C4H8F3N3/c1-2(4(5,6)7)10-3(8)9/h2H,1H3,(H4,8,9,10)
InChIKeyZBMPORJNJKEOSK-UHFFFAOYSA-N
XLogP0.21
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.21
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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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoropropan-2-yl)guanidine?
The IUPAC name of 2-(1,1,1-trifluoropropan-2-yl)guanidine (CID 88924987) is 2-(1,1,1-trifluoropropan-2-yl)guanidine.
What is the SMILES notation for 2-(1,1,1-trifluoropropan-2-yl)guanidine?
The canonical SMILES for 2-(1,1,1-trifluoropropan-2-yl)guanidine is CC(N=C(N)N)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoropropan-2-yl)guanidine?
The InChIKey is ZBMPORJNJKEOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3N3/c1-2(4(5,6)7)10-3(8)9/h2H,1H3,(H4,8,9,10).
What are the key properties of 2-(1,1,1-trifluoropropan-2-yl)guanidine?
2-(1,1,1-trifluoropropan-2-yl)guanidine has a molecular weight of 155.12 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoropropan-2-yl)guanidine is sourced from PubChem (CID 88924987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).