N'-(1-fluoroethyl)-N,N-dimethylmethanimidamide

C5H11FN2 — CID 174151577

IUPACN'-(1-fluoroethyl)-N,N-dimethylmethanimidamide
SMILESCC(F)N=CN(C)C
InChIInChI=1S/C5H11FN2/c1-5(6)7-4-8(2)3/h4-5H,1-3H3
InChIKeyKWIHVARTSSLLCA-UHFFFAOYSA-N
MW118.15 g/mol
LogP0.89
Rot. Bonds2

About N'-(1-fluoroethyl)-N,N-dimethylmethanimidamide

N'-(1-fluoroethyl)-N,N-dimethylmethanimidamide (PubChem CID 174151577) has the molecular formula C5H11FN2 and a molecular weight of 118.15 g/mol. Its IUPAC name is N'-(1-fluoroethyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(1-fluoroethyl)-N,N-dimethylmethanimidamide
PubChem CID174151577
Molecular FormulaC5H11FN2
Molecular Weight118.15 g/mol
Exact Mass118.09
IUPAC NameN'-(1-fluoroethyl)-N,N-dimethylmethanimidamide
SMILESCC(F)N=CN(C)C
InChIInChI=1S/C5H11FN2/c1-5(6)7-4-8(2)3/h4-5H,1-3H3
InChIKeyKWIHVARTSSLLCA-UHFFFAOYSA-N
XLogP0.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1-fluoroethyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(1-fluoroethyl)-N,N-dimethylmethanimidamide (CID 174151577) is N'-(1-fluoroethyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(1-fluoroethyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(1-fluoroethyl)-N,N-dimethylmethanimidamide is CC(F)N=CN(C)C.
What is the InChIKey of N'-(1-fluoroethyl)-N,N-dimethylmethanimidamide?
The InChIKey is KWIHVARTSSLLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2/c1-5(6)7-4-8(2)3/h4-5H,1-3H3.
What are the key properties of N'-(1-fluoroethyl)-N,N-dimethylmethanimidamide?
N'-(1-fluoroethyl)-N,N-dimethylmethanimidamide has a molecular weight of 118.15 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-fluoroethyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 174151577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).