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

C10H18F3N3 — CID 79038738

IUPAC1-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine
SMILESN/C(=N\CCCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C10H18F3N3/c11-10(12,13)6-3-7-15-9(14)16-8-4-1-2-5-8/h8H,1-7H2,(H3,14,15,16)
InChIKeyKPPHUKAEVZYTPM-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.18
Rot. Bonds4

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

1-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine (PubChem CID 79038738) has the molecular formula C10H18F3N3 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine
PubChem CID79038738
Molecular FormulaC10H18F3N3
Molecular Weight237.27 g/mol
Exact Mass237.15
IUPAC Name1-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine
SMILESN/C(=N\CCCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C10H18F3N3/c11-10(12,13)6-3-7-15-9(14)16-8-4-1-2-5-8/h8H,1-7H2,(H3,14,15,16)
InChIKeyKPPHUKAEVZYTPM-UHFFFAOYSA-N
XLogP2.18
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.18
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

2-(2-Fluoroethyl)-1-pentan-2-ylguanidine
CID 146245919
1-[(1S,3S)-3-[[3,3-difluoro-4-(methylamino)butyl]amino]cyclopentyl]-2-methylguanidine
CID 170130350
1-[(1S)-3-[[2,2-difluoro-4-(methylamino)butyl]-methylamino]cyclopentyl]-2-methylguanidine
CID 170130623
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-Cyclopentyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62361427
2-Cyclopentyl-1-cyclopropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362297
2-Cyclopentyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362521
1-Cyclopentyl-2-(2,2,2-trifluoroethyl)guanidine
CID 62364070
1-Cyclohexyl-2-(2,2,2-trifluoroethyl)guanidine
CID 62364071
1-Cyclopentyl-2-(3,3,3-trifluoropropyl)guanidine
CID 63227577
1-Cyclohexyl-2-(3,3,3-trifluoropropyl)guanidine
CID 63227578

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine (CID 79038738) is 1-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine is N/C(=N\CCCC(F)(F)F)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine?
The InChIKey is KPPHUKAEVZYTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3/c11-10(12,13)6-3-7-15-9(14)16-8-4-1-2-5-8/h8H,1-7H2,(H3,14,15,16).
What are the key properties of 1-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine?
1-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine has a molecular weight of 237.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(4,4,4-trifluorobutyl)guanidine is sourced from PubChem (CID 79038738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).