2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine

C11H12F3N3 — CID 62381437

IUPAC2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine
SMILESN/C(=N\C1CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H12F3N3/c12-11(13,14)8-3-1-2-4-9(8)17-10(15)16-7-5-6-7/h1-4,7H,5-6H2,(H3,15,16,17)
InChIKeyOTDZZRVSOFQPDG-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.59
Rot. Bonds2

About 2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine

2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine (PubChem CID 62381437) has the molecular formula C11H12F3N3 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine
PubChem CID62381437
Molecular FormulaC11H12F3N3
Molecular Weight243.23 g/mol
Exact Mass243.10
IUPAC Name2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine
SMILESN/C(=N\C1CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C11H12F3N3/c12-11(13,14)8-3-1-2-4-9(8)17-10(15)16-7-5-6-7/h1-4,7H,5-6H2,(H3,15,16,17)
InChIKeyOTDZZRVSOFQPDG-UHFFFAOYSA-N
XLogP2.59
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.59
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'}

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Related Compounds

3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
CID 57365498
2-(4-fluoropyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
CID 71548706
2-amino-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 64817726
2-(5-methylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
CID 78108578
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549795
1-(diaminomethylideneamino)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 45033850
1-[(E)-N'-hydroxycarbamimidoyl]-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 80590517
(15S)-N-[2-(trifluoromethyl)phenyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1331323
1-(cyclopropanecarbonylamino)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 2730250
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
1-carbamothioyl-3-[2-(trifluoromethyl)phenyl]urea
CID 134125791

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine (CID 62381437) is 2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine is N/C(=N\C1CC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine?
The InChIKey is OTDZZRVSOFQPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3/c12-11(13,14)8-3-1-2-4-9(8)17-10(15)16-7-5-6-7/h1-4,7H,5-6H2,(H3,15,16,17).
What are the key properties of 2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine?
2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine has a molecular weight of 243.23 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 62381437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).