N-(2-fluoroethyl)-N-methylformamide

C4H8FNO — CID 87078395

IUPACN-(2-fluoroethyl)-N-methylformamide
SMILESCN(C=O)CCF
InChIInChI=1S/C4H8FNO/c1-6(4-7)3-2-5/h4H,2-3H2,1H3
InChIKeyJLBJYJPLQKLPHJ-UHFFFAOYSA-N
MW105.11 g/mol
LogP0.04
Rot. Bonds3

About N-(2-fluoroethyl)-N-methylformamide

N-(2-fluoroethyl)-N-methylformamide (PubChem CID 87078395) has the molecular formula C4H8FNO and a molecular weight of 105.11 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-methylformamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-methylformamide
PubChem CID87078395
Molecular FormulaC4H8FNO
Molecular Weight105.11 g/mol
Exact Mass105.06
IUPAC NameN-(2-fluoroethyl)-N-methylformamide
SMILESCN(C=O)CCF
InChIInChI=1S/C4H8FNO/c1-6(4-7)3-2-5/h4H,2-3H2,1H3
InChIKeyJLBJYJPLQKLPHJ-UHFFFAOYSA-N
XLogP0.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.11
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-methylformamide?
The IUPAC name of N-(2-fluoroethyl)-N-methylformamide (CID 87078395) is N-(2-fluoroethyl)-N-methylformamide.
What is the SMILES notation for N-(2-fluoroethyl)-N-methylformamide?
The canonical SMILES for N-(2-fluoroethyl)-N-methylformamide is CN(C=O)CCF.
What is the InChIKey of N-(2-fluoroethyl)-N-methylformamide?
The InChIKey is JLBJYJPLQKLPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO/c1-6(4-7)3-2-5/h4H,2-3H2,1H3.
What are the key properties of N-(2-fluoroethyl)-N-methylformamide?
N-(2-fluoroethyl)-N-methylformamide has a molecular weight of 105.11 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-methylformamide is sourced from PubChem (CID 87078395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).