1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine

C7H14F3N3 — CID 62363432

IUPAC1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC(C)/N=C(\N)N(C)CC(F)(F)F
InChIInChI=1S/C7H14F3N3/c1-5(2)12-6(11)13(3)4-7(8,9)10/h5H,4H2,1-3H3,(H2,11,12)
InChIKeyTXMLDTYOAXLGOH-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.20
Rot. Bonds2

About 1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine

1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 62363432) has the molecular formula C7H14F3N3 and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID62363432
Molecular FormulaC7H14F3N3
Molecular Weight197.20 g/mol
Exact Mass197.11
IUPAC Name1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCC(C)/N=C(\N)N(C)CC(F)(F)F
InChIInChI=1S/C7H14F3N3/c1-5(2)12-6(11)13(3)4-7(8,9)10/h5H,4H2,1-3H3,(H2,11,12)
InChIKeyTXMLDTYOAXLGOH-UHFFFAOYSA-N
XLogP1.20
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.20
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'}

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Related Compounds

1-Propan-2-yl-2-(2,2,2-trifluoroethyl)guanidine
CID 62362391
3-(Diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride
CID 88835805
4,6-difluoro-1-propan-2-yl-2H-1,3,5-triazine
CID 141284776
1-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine
CID 162453113
1-[(2R)-1,1,1-trifluoropropan-2-yl]-6-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine
CID 162453115
5-[(2R)-1,1,1-trifluoropropan-2-yl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]imino-1,3,5-triazin-2-amine
CID 162453116
4-Imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine
CID 175042926
1-carbamimidoyl-1,2-bis[(2R)-1,1,1-trifluoropropan-2-yl]guanidine;hydrochloride
CID 177210307
1-propan-2-yl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine
CID 21151823
3-(Diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 53639278
1-Propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 61605169
1,2-Dimethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358406

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine (CID 62363432) is 1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine is CC(C)/N=C(\N)N(C)CC(F)(F)F.
What is the InChIKey of 1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is TXMLDTYOAXLGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3/c1-5(2)12-6(11)13(3)4-7(8,9)10/h5H,4H2,1-3H3,(H2,11,12).
What are the key properties of 1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine?
1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 197.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 62363432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).