1-(4,4-difluorocyclohexyl)-1,2-dimethylguanidine

C9H17F2N3 — CID 164657652

IUPAC1-(4,4-difluorocyclohexyl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)C1CCC(F)(F)CC1
InChIInChI=1S/C9H17F2N3/c1-13-8(12)14(2)7-3-5-9(10,11)6-4-7/h7H,3-6H2,1-2H3,(H2,12,13)
InChIKeyMRPAEJBIQVZFPG-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.44
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)-1,2-dimethylguanidine

1-(4,4-difluorocyclohexyl)-1,2-dimethylguanidine (PubChem CID 164657652) has the molecular formula C9H17F2N3 and a molecular weight of 205.25 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-1,2-dimethylguanidine
PubChem CID164657652
Molecular FormulaC9H17F2N3
Molecular Weight205.25 g/mol
Exact Mass205.14
IUPAC Name1-(4,4-difluorocyclohexyl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)C1CCC(F)(F)CC1
InChIInChI=1S/C9H17F2N3/c1-13-8(12)14(2)7-3-5-9(10,11)6-4-7/h7H,3-6H2,1-2H3,(H2,12,13)
InChIKeyMRPAEJBIQVZFPG-UHFFFAOYSA-N
XLogP1.44
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.44
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

3-(Diaminomethylidene)-1,1-bis(4,4-difluorocyclohexyl)guanidine
CID 117798715
N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide
CID 154494480
N'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide
CID 154494483
1-(5-Amino-3,3-difluorocyclohexyl)-2-ethylguanidine
CID 163509412
N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
CID 172686304
N'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride
CID 172843565
N'-[N'-[(3S)-3,4,5-trifluorocyclohexyl]carbamimidoyl]piperidine-1-carboximidamide
CID 173924347
1-cyclohexyl-6-(trifluoromethyl)-2H-1,3,5-triazine-2,4-diamine
CID 21120008
2-Cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 55064154
2-Cyclopentyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 55064248
2-Cyclopentyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62361396
2-Cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62361397

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-1,2-dimethylguanidine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-1,2-dimethylguanidine (CID 164657652) is 1-(4,4-difluorocyclohexyl)-1,2-dimethylguanidine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-1,2-dimethylguanidine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-1,2-dimethylguanidine is C/N=C(\N)N(C)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-1,2-dimethylguanidine?
The InChIKey is MRPAEJBIQVZFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N3/c1-13-8(12)14(2)7-3-5-9(10,11)6-4-7/h7H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of 1-(4,4-difluorocyclohexyl)-1,2-dimethylguanidine?
1-(4,4-difluorocyclohexyl)-1,2-dimethylguanidine has a molecular weight of 205.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-1,2-dimethylguanidine is sourced from PubChem (CID 164657652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).