1,1-bis(2,2,3,3-tetrafluoropropyl)guanidine

C7H9F8N3 — CID 87072916

IUPAC1,1-bis(2,2,3,3-tetrafluoropropyl)guanidine
SMILES[H]/N=C(\N)N(CC(F)(F)C(F)F)CC(F)(F)C(F)F
InChIInChI=1S/C7H9F8N3/c8-3(9)6(12,13)1-18(5(16)17)2-7(14,15)4(10)11/h3-4H,1-2H2,(H3,16,17)
InChIKeyGXHVQXSPEUAHAG-UHFFFAOYSA-N
MW287.15 g/mol
LogP1.98
Rot. Bonds6

About 1,1-bis(2,2,3,3-tetrafluoropropyl)guanidine

1,1-bis(2,2,3,3-tetrafluoropropyl)guanidine (PubChem CID 87072916) has the molecular formula C7H9F8N3 and a molecular weight of 287.15 g/mol. Its IUPAC name is 1,1-bis(2,2,3,3-tetrafluoropropyl)guanidine.

Molecular Properties

Compound Name1,1-bis(2,2,3,3-tetrafluoropropyl)guanidine
PubChem CID87072916
Molecular FormulaC7H9F8N3
Molecular Weight287.15 g/mol
Exact Mass287.07
IUPAC Name1,1-bis(2,2,3,3-tetrafluoropropyl)guanidine
SMILES[H]/N=C(\N)N(CC(F)(F)C(F)F)CC(F)(F)C(F)F
InChIInChI=1S/C7H9F8N3/c8-3(9)6(12,13)1-18(5(16)17)2-7(14,15)4(10)11/h3-4H,1-2H2,(H3,16,17)
InChIKeyGXHVQXSPEUAHAG-UHFFFAOYSA-N
XLogP1.98
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 51.98
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': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2,2,3,3-tetrafluoropropyl)guanidine?
The IUPAC name of 1,1-bis(2,2,3,3-tetrafluoropropyl)guanidine (CID 87072916) is 1,1-bis(2,2,3,3-tetrafluoropropyl)guanidine.
What is the SMILES notation for 1,1-bis(2,2,3,3-tetrafluoropropyl)guanidine?
The canonical SMILES for 1,1-bis(2,2,3,3-tetrafluoropropyl)guanidine is [H]/N=C(\N)N(CC(F)(F)C(F)F)CC(F)(F)C(F)F.
What is the InChIKey of 1,1-bis(2,2,3,3-tetrafluoropropyl)guanidine?
The InChIKey is GXHVQXSPEUAHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F8N3/c8-3(9)6(12,13)1-18(5(16)17)2-7(14,15)4(10)11/h3-4H,1-2H2,(H3,16,17).
What are the key properties of 1,1-bis(2,2,3,3-tetrafluoropropyl)guanidine?
1,1-bis(2,2,3,3-tetrafluoropropyl)guanidine has a molecular weight of 287.15 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2,2,3,3-tetrafluoropropyl)guanidine is sourced from PubChem (CID 87072916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).