N'-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentanecarboximidamide

C13H14F4N2 — CID 63181253

IUPACN'-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentanecarboximidamide
SMILESN/C(=N\c1cc(C(F)(F)F)ccc1F)C1CCCC1
InChIInChI=1S/C13H14F4N2/c14-10-6-5-9(13(15,16)17)7-11(10)19-12(18)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19)
InChIKeyYVPGXHGEUMESQE-UHFFFAOYSA-N
MW274.26 g/mol
LogP4.02
Rot. Bonds2

About N'-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentanecarboximidamide

N'-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentanecarboximidamide (PubChem CID 63181253) has the molecular formula C13H14F4N2 and a molecular weight of 274.26 g/mol. Its IUPAC name is N'-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentanecarboximidamide
PubChem CID63181253
Molecular FormulaC13H14F4N2
Molecular Weight274.26 g/mol
Exact Mass274.11
IUPAC NameN'-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentanecarboximidamide
SMILESN/C(=N\c1cc(C(F)(F)F)ccc1F)C1CCCC1
InChIInChI=1S/C13H14F4N2/c14-10-6-5-9(13(15,16)17)7-11(10)19-12(18)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19)
InChIKeyYVPGXHGEUMESQE-UHFFFAOYSA-N
XLogP4.02
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 54.02
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentanecarboximidamide?
The IUPAC name of N'-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentanecarboximidamide (CID 63181253) is N'-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentanecarboximidamide.
What is the SMILES notation for N'-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentanecarboximidamide?
The canonical SMILES for N'-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentanecarboximidamide is N/C(=N\c1cc(C(F)(F)F)ccc1F)C1CCCC1.
What is the InChIKey of N'-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentanecarboximidamide?
The InChIKey is YVPGXHGEUMESQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2/c14-10-6-5-9(13(15,16)17)7-11(10)19-12(18)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19).
What are the key properties of N'-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentanecarboximidamide?
N'-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentanecarboximidamide has a molecular weight of 274.26 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentanecarboximidamide is sourced from PubChem (CID 63181253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).