2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1,3,3-tetramethylguanidine

C14H19F2N3 — CID 111815364

IUPAC2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NC1CC1c1c(F)cccc1F)N(C)C
InChIInChI=1S/C14H19F2N3/c1-18(2)14(19(3)4)17-12-8-9(12)13-10(15)6-5-7-11(13)16/h5-7,9,12H,8H2,1-4H3
InChIKeyYCVXYBQPEHWVDB-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.30
Rot. Bonds2

About 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1,3,3-tetramethylguanidine

2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1,3,3-tetramethylguanidine (PubChem CID 111815364) has the molecular formula C14H19F2N3 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1,3,3-tetramethylguanidine
PubChem CID111815364
Molecular FormulaC14H19F2N3
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NC1CC1c1c(F)cccc1F)N(C)C
InChIInChI=1S/C14H19F2N3/c1-18(2)14(19(3)4)17-12-8-9(12)13-10(15)6-5-7-11(13)16/h5-7,9,12H,8H2,1-4H3
InChIKeyYCVXYBQPEHWVDB-UHFFFAOYSA-N
XLogP2.30
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
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

2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide
CID 119147957
1-tert-butyl-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111815381
N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide
CID 111815372
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3-methylphenyl)guanidine
CID 111815308
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111815307
tert-butyl 4-[N'-[2-(2,6-difluorophenyl)cyclopropyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111815337
2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111818759
1-(2,5-diethoxyphenyl)-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine
CID 111815388
1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine
CID 122098698
3-(2,6-difluorophenyl)-2-ethylcyclobutan-1-ol
CID 81415954
ethyl 4-[[N'-[2-(2,6-difluorophenyl)cyclopropyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111815321
trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 93299333

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1,3,3-tetramethylguanidine (CID 111815364) is 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1,3,3-tetramethylguanidine is CN(C)C(=NC1CC1c1c(F)cccc1F)N(C)C.
What is the InChIKey of 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is YCVXYBQPEHWVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3/c1-18(2)14(19(3)4)17-12-8-9(12)13-10(15)6-5-7-11(13)16/h5-7,9,12H,8H2,1-4H3.
What are the key properties of 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1,3,3-tetramethylguanidine?
2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 267.32 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 111815364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).