N-(fluoromethyl)ethenamine

C3H6FN — CID 72652511

IUPACN-(fluoromethyl)ethenamine
SMILESC=CNCF
InChIInChI=1S/C3H6FN/c1-2-5-3-4/h2,5H,1,3H2
InChIKeyPWCVVVUUKYBQNK-UHFFFAOYSA-N
MW75.09 g/mol
LogP0.65
Rot. Bonds2

About N-(fluoromethyl)ethenamine

N-(fluoromethyl)ethenamine (PubChem CID 72652511) has the molecular formula C3H6FN and a molecular weight of 75.09 g/mol. Its IUPAC name is N-(fluoromethyl)ethenamine.

Molecular Properties

Compound NameN-(fluoromethyl)ethenamine
PubChem CID72652511
Molecular FormulaC3H6FN
Molecular Weight75.09 g/mol
Exact Mass75.05
IUPAC NameN-(fluoromethyl)ethenamine
SMILESC=CNCF
InChIInChI=1S/C3H6FN/c1-2-5-3-4/h2,5H,1,3H2
InChIKeyPWCVVVUUKYBQNK-UHFFFAOYSA-N
XLogP0.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.09
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)ethenamine?
The IUPAC name of N-(fluoromethyl)ethenamine (CID 72652511) is N-(fluoromethyl)ethenamine.
What is the SMILES notation for N-(fluoromethyl)ethenamine?
The canonical SMILES for N-(fluoromethyl)ethenamine is C=CNCF.
What is the InChIKey of N-(fluoromethyl)ethenamine?
The InChIKey is PWCVVVUUKYBQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FN/c1-2-5-3-4/h2,5H,1,3H2.
What are the key properties of N-(fluoromethyl)ethenamine?
N-(fluoromethyl)ethenamine has a molecular weight of 75.09 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)ethenamine is sourced from PubChem (CID 72652511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).