1-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine

C11H20F3N3 — CID 79822882

IUPAC1-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine
SMILESN/C(=N\CCCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C11H20F3N3/c12-11(13,14)7-4-8-16-10(15)17-9-5-2-1-3-6-9/h9H,1-8H2,(H3,15,16,17)
InChIKeySJIGQVSIURHEIE-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.57
Rot. Bonds4

About 1-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine

1-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine (PubChem CID 79822882) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine
PubChem CID79822882
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC Name1-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine
SMILESN/C(=N\CCCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C11H20F3N3/c12-11(13,14)7-4-8-16-10(15)17-9-5-2-1-3-6-9/h9H,1-8H2,(H3,15,16,17)
InChIKeySJIGQVSIURHEIE-UHFFFAOYSA-N
XLogP2.57
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

n,n'-Dicyclohexylguanidine
CID 407725
N,N'-dicyclohexyl-2,2,2-trifluoroethanimidamide
CID 118960341
2-(2-Fluoroethyl)-1-hexan-3-ylguanidine
CID 138502697
1-[Amino-[(4,4-difluorocyclohexyl)amino]methyl]-2-(4,4-difluorocyclohexyl)guanidine
CID 138579998
N-(4-fluorocyclohexyl)-4,5-dihydro-1H-imidazol-2-amine
CID 140556876
N-(4,4-difluorocyclohexyl)-N'-[2-(propylamino)ethyl]methanimidamide
CID 143318235
1-(5-Amino-3,3-difluorocyclohexyl)-2-ethylguanidine
CID 163509412
2-Cyclohexyl-1,3-di(propan-2-yl)guanidine
CID 10585300
[Amino-(cyclohexylamino)methylidene]-cyclohexylazanium
CID 36689485
2-Cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 55064154
2-Cyclohexyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62361397
2-Cyclohexyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362298

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine (CID 79822882) is 1-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine is N/C(=N\CCCC(F)(F)F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine?
The InChIKey is SJIGQVSIURHEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/c12-11(13,14)7-4-8-16-10(15)17-9-5-2-1-3-6-9/h9H,1-8H2,(H3,15,16,17).
What are the key properties of 1-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine?
1-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine has a molecular weight of 251.30 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(4,4,4-trifluorobutyl)guanidine is sourced from PubChem (CID 79822882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).