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

C7H13F4N3 — CID 87074464

IUPAC1,1,3-trimethyl-3-(2,2,3,3-tetrafluoropropyl)guanidine
SMILES[H]/N=C(\N(C)C)N(C)CC(F)(F)C(F)F
InChIInChI=1S/C7H13F4N3/c1-13(2)6(12)14(3)4-7(10,11)5(8)9/h5,12H,4H2,1-3H3/b12-6+
InChIKeyWCRFBNGMCFSEOJ-WUXMJOGZSA-N
MW215.19 g/mol
LogP1.31
Rot. Bonds3

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

1,1,3-trimethyl-3-(2,2,3,3-tetrafluoropropyl)guanidine (PubChem CID 87074464) has the molecular formula C7H13F4N3 and a molecular weight of 215.19 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-(2,2,3,3-tetrafluoropropyl)guanidine.

Molecular Properties

Compound Name1,1,3-trimethyl-3-(2,2,3,3-tetrafluoropropyl)guanidine
PubChem CID87074464
Molecular FormulaC7H13F4N3
Molecular Weight215.19 g/mol
Exact Mass215.10
IUPAC Name1,1,3-trimethyl-3-(2,2,3,3-tetrafluoropropyl)guanidine
SMILES[H]/N=C(\N(C)C)N(C)CC(F)(F)C(F)F
InChIInChI=1S/C7H13F4N3/c1-13(2)6(12)14(3)4-7(10,11)5(8)9/h5,12H,4H2,1-3H3/b12-6+
InChIKeyWCRFBNGMCFSEOJ-WUXMJOGZSA-N
XLogP1.31
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
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 1,1,3-trimethyl-3-(2,2,3,3-tetrafluoropropyl)guanidine?
The IUPAC name of 1,1,3-trimethyl-3-(2,2,3,3-tetrafluoropropyl)guanidine (CID 87074464) is 1,1,3-trimethyl-3-(2,2,3,3-tetrafluoropropyl)guanidine.
What is the SMILES notation for 1,1,3-trimethyl-3-(2,2,3,3-tetrafluoropropyl)guanidine?
The canonical SMILES for 1,1,3-trimethyl-3-(2,2,3,3-tetrafluoropropyl)guanidine is [H]/N=C(\N(C)C)N(C)CC(F)(F)C(F)F.
What is the InChIKey of 1,1,3-trimethyl-3-(2,2,3,3-tetrafluoropropyl)guanidine?
The InChIKey is WCRFBNGMCFSEOJ-WUXMJOGZSA-N. The full InChI is InChI=1S/C7H13F4N3/c1-13(2)6(12)14(3)4-7(10,11)5(8)9/h5,12H,4H2,1-3H3/b12-6+.
What are the key properties of 1,1,3-trimethyl-3-(2,2,3,3-tetrafluoropropyl)guanidine?
1,1,3-trimethyl-3-(2,2,3,3-tetrafluoropropyl)guanidine has a molecular weight of 215.19 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-(2,2,3,3-tetrafluoropropyl)guanidine is sourced from PubChem (CID 87074464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).