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

C10H17F4N3 — CID 106293239

IUPAC1-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
SMILESN/C(=N\CC(F)(F)C(F)F)NC1CCCCC1
InChIInChI=1S/C10H17F4N3/c11-8(12)10(13,14)6-16-9(15)17-7-4-2-1-3-5-7/h7-8H,1-6H2,(H3,15,16,17)
InChIKeyWXEOKOORPVUJPF-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.12
Rot. Bonds4

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

1-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine (PubChem CID 106293239) has the molecular formula C10H17F4N3 and a molecular weight of 255.26 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
PubChem CID106293239
Molecular FormulaC10H17F4N3
Molecular Weight255.26 g/mol
Exact Mass255.14
IUPAC Name1-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
SMILESN/C(=N\CC(F)(F)C(F)F)NC1CCCCC1
InChIInChI=1S/C10H17F4N3/c11-8(12)10(13,14)6-16-9(15)17-7-4-2-1-3-5-7/h7-8H,1-6H2,(H3,15,16,17)
InChIKeyWXEOKOORPVUJPF-UHFFFAOYSA-N
XLogP2.12
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.12
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-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine (CID 106293239) is 1-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine is N/C(=N\CC(F)(F)C(F)F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine?
The InChIKey is WXEOKOORPVUJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4N3/c11-8(12)10(13,14)6-16-9(15)17-7-4-2-1-3-5-7/h7-8H,1-6H2,(H3,15,16,17).
What are the key properties of 1-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine?
1-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine has a molecular weight of 255.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2,2,3,3-tetrafluoropropyl)guanidine is sourced from PubChem (CID 106293239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).