N'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide

C14H17F3N2 — CID 63173633

IUPACN'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide
SMILESN/C(=N\Cc1ccccc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C14H17F3N2/c15-14(16,17)12-8-4-3-7-11(12)9-19-13(18)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H2,18,19)
InChIKeyBOQKYYNIOKPNHX-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.75
Rot. Bonds3

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

N'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide (PubChem CID 63173633) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is N'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide
PubChem CID63173633
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC NameN'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide
SMILESN/C(=N\Cc1ccccc1C(F)(F)F)C1CCCC1
InChIInChI=1S/C14H17F3N2/c15-14(16,17)12-8-4-3-7-11(12)9-19-13(18)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H2,18,19)
InChIKeyBOQKYYNIOKPNHX-UHFFFAOYSA-N
XLogP3.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.75
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-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide?
The IUPAC name of N'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide (CID 63173633) is N'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide.
What is the SMILES notation for N'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide?
The canonical SMILES for N'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide is N/C(=N\Cc1ccccc1C(F)(F)F)C1CCCC1.
What is the InChIKey of N'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide?
The InChIKey is BOQKYYNIOKPNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c15-14(16,17)12-8-4-3-7-11(12)9-19-13(18)10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H2,18,19).
What are the key properties of N'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide?
N'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide has a molecular weight of 270.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide is sourced from PubChem (CID 63173633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).