2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine

C10H18F3N3O — CID 109474623

IUPAC2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(\NCCC(F)(F)F)NCC1(C)COC1
InChIInChI=1S/C10H18F3N3O/c1-9(6-17-7-9)5-16-8(14-2)15-4-3-10(11,12)13/h3-7H2,1-2H3,(H2,14,15,16)
InChIKeyWWIDZJSBTNVPID-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.14
Rot. Bonds4

About 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine

2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine (PubChem CID 109474623) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
PubChem CID109474623
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(\NCCC(F)(F)F)NCC1(C)COC1
InChIInChI=1S/C10H18F3N3O/c1-9(6-17-7-9)5-16-8(14-2)15-4-3-10(11,12)13/h3-7H2,1-2H3,(H2,14,15,16)
InChIKeyWWIDZJSBTNVPID-UHFFFAOYSA-N
XLogP1.14
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine (CID 109474623) is 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine is C/N=C(\NCCC(F)(F)F)NCC1(C)COC1.
What is the InChIKey of 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is WWIDZJSBTNVPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-9(6-17-7-9)5-16-8(14-2)15-4-3-10(11,12)13/h3-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine?
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 253.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 109474623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).