N,N-bis(2-fluoroethyl)formamide

C5H9F2NO — CID 57432587

IUPACN,N-bis(2-fluoroethyl)formamide
SMILESO=CN(CCF)CCF
InChIInChI=1S/C5H9F2NO/c6-1-3-8(5-9)4-2-7/h5H,1-4H2
InChIKeyLNGBKOFKQLBEKG-UHFFFAOYSA-N
MW137.13 g/mol
LogP0.38
Rot. Bonds5

About N,N-bis(2-fluoroethyl)formamide

N,N-bis(2-fluoroethyl)formamide (PubChem CID 57432587) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is N,N-bis(2-fluoroethyl)formamide.

Molecular Properties

Compound NameN,N-bis(2-fluoroethyl)formamide
PubChem CID57432587
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC NameN,N-bis(2-fluoroethyl)formamide
SMILESO=CN(CCF)CCF
InChIInChI=1S/C5H9F2NO/c6-1-3-8(5-9)4-2-7/h5H,1-4H2
InChIKeyLNGBKOFKQLBEKG-UHFFFAOYSA-N
XLogP0.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 50.38
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,N-bis(2-fluoroethyl)formamide?
The IUPAC name of N,N-bis(2-fluoroethyl)formamide (CID 57432587) is N,N-bis(2-fluoroethyl)formamide.
What is the SMILES notation for N,N-bis(2-fluoroethyl)formamide?
The canonical SMILES for N,N-bis(2-fluoroethyl)formamide is O=CN(CCF)CCF.
What is the InChIKey of N,N-bis(2-fluoroethyl)formamide?
The InChIKey is LNGBKOFKQLBEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-1-3-8(5-9)4-2-7/h5H,1-4H2.
What are the key properties of N,N-bis(2-fluoroethyl)formamide?
N,N-bis(2-fluoroethyl)formamide has a molecular weight of 137.13 g/mol, XLogP of 0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-fluoroethyl)formamide is sourced from PubChem (CID 57432587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).