2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine

C10H12F3N3 — CID 62379789

IUPAC2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine
SMILESCC(C)/N=C(\N)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C10H12F3N3/c1-5(2)15-10(14)16-7-4-3-6(11)8(12)9(7)13/h3-5H,1-2H3,(H3,14,15,16)
InChIKeyAQDVVBSYRVZHPJ-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.24
Rot. Bonds2

About 2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine

2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine (PubChem CID 62379789) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine.

Molecular Properties

Compound Name2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine
PubChem CID62379789
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine
SMILESCC(C)/N=C(\N)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C10H12F3N3/c1-5(2)15-10(14)16-7-4-3-6(11)8(12)9(7)13/h3-5H,1-2H3,(H3,14,15,16)
InChIKeyAQDVVBSYRVZHPJ-UHFFFAOYSA-N
XLogP2.24
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2-iodophenyl)-2-propan-2-ylguanidine
CID 107638202
1-propan-2-yl-3-(2,3,4-trifluorophenyl)thiourea
CID 7991832
1-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylguanidine
CID 62381483
1-(2-chloro-5-fluorophenyl)-2-propan-2-ylguanidine
CID 107531363
1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea
CID 47173418
1-amino-3-(2,3-difluorophenyl)-2-propan-2-ylguanidine
CID 116513741
N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide
CID 47224066
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
2-[(N'-methylcarbamimidoyl)amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 110913519
2-amino-4-methyl-N-(2,3,4-trifluorophenyl)pentanamide
CID 24697513
2-methyl-3-(2,3,4-trifluoroanilino)propanamide
CID 43312047
1-naphthalen-1-yl-2-propan-2-ylguanidine
CID 55068402

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine?
The IUPAC name of 2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine (CID 62379789) is 2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine.
What is the SMILES notation for 2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine?
The canonical SMILES for 2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine is CC(C)/N=C(\N)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine?
The InChIKey is AQDVVBSYRVZHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-5(2)15-10(14)16-7-4-3-6(11)8(12)9(7)13/h3-5H,1-2H3,(H3,14,15,16).
What are the key properties of 2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine?
2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine has a molecular weight of 231.22 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine is sourced from PubChem (CID 62379789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).