N-methyl-N-(2,2,2-trifluoroethyl)cyclopentanecarboximidamide

C9H15F3N2 — CID 63176115

IUPACN-methyl-N-(2,2,2-trifluoroethyl)cyclopentanecarboximidamide
SMILES[H]/N=C(/C1CCCC1)N(C)CC(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-14(6-9(10,11)12)8(13)7-4-2-3-5-7/h7,13H,2-6H2,1H3/b13-8-
InChIKeyYMNJWRBSVCVUGF-JYRVWZFOSA-N
MW208.23 g/mol
LogP2.65
Rot. Bonds2

About N-methyl-N-(2,2,2-trifluoroethyl)cyclopentanecarboximidamide

N-methyl-N-(2,2,2-trifluoroethyl)cyclopentanecarboximidamide (PubChem CID 63176115) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)cyclopentanecarboximidamide
PubChem CID63176115
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)cyclopentanecarboximidamide
SMILES[H]/N=C(/C1CCCC1)N(C)CC(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-14(6-9(10,11)12)8(13)7-4-2-3-5-7/h7,13H,2-6H2,1H3/b13-8-
InChIKeyYMNJWRBSVCVUGF-JYRVWZFOSA-N
XLogP2.65
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.65
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-methyl-N-(2,2,2-trifluoroethyl)cyclopentanecarboximidamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)cyclopentanecarboximidamide (CID 63176115) is N-methyl-N-(2,2,2-trifluoroethyl)cyclopentanecarboximidamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)cyclopentanecarboximidamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)cyclopentanecarboximidamide is [H]/N=C(/C1CCCC1)N(C)CC(F)(F)F.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)cyclopentanecarboximidamide?
The InChIKey is YMNJWRBSVCVUGF-JYRVWZFOSA-N. The full InChI is InChI=1S/C9H15F3N2/c1-14(6-9(10,11)12)8(13)7-4-2-3-5-7/h7,13H,2-6H2,1H3/b13-8-.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)cyclopentanecarboximidamide?
N-methyl-N-(2,2,2-trifluoroethyl)cyclopentanecarboximidamide has a molecular weight of 208.23 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)cyclopentanecarboximidamide is sourced from PubChem (CID 63176115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).