N-(1-fluoroethyl)hydroxylamine;hydrochloride

C2H7ClFNO — CID 87861287

IUPACN-(1-fluoroethyl)hydroxylamine;hydrochloride
SMILESCC(F)NO.Cl
InChIInChI=1S/C2H6FNO.ClH/c1-2(3)4-5;/h2,4-5H,1H3;1H
InChIKeyKVUJGSAWTSPTEV-UHFFFAOYSA-N
MW115.53 g/mol
LogP0.70
Rot. Bonds1

About N-(1-fluoroethyl)hydroxylamine;hydrochloride

N-(1-fluoroethyl)hydroxylamine;hydrochloride (PubChem CID 87861287) has the molecular formula C2H7ClFNO and a molecular weight of 115.53 g/mol. Its IUPAC name is N-(1-fluoroethyl)hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-(1-fluoroethyl)hydroxylamine;hydrochloride
PubChem CID87861287
Molecular FormulaC2H7ClFNO
Molecular Weight115.53 g/mol
Exact Mass115.02
IUPAC NameN-(1-fluoroethyl)hydroxylamine;hydrochloride
SMILESCC(F)NO.Cl
InChIInChI=1S/C2H6FNO.ClH/c1-2(3)4-5;/h2,4-5H,1H3;1H
InChIKeyKVUJGSAWTSPTEV-UHFFFAOYSA-N
XLogP0.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.53
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoroethyl)hydroxylamine;hydrochloride?
The IUPAC name of N-(1-fluoroethyl)hydroxylamine;hydrochloride (CID 87861287) is N-(1-fluoroethyl)hydroxylamine;hydrochloride.
What is the SMILES notation for N-(1-fluoroethyl)hydroxylamine;hydrochloride?
The canonical SMILES for N-(1-fluoroethyl)hydroxylamine;hydrochloride is CC(F)NO.Cl.
What is the InChIKey of N-(1-fluoroethyl)hydroxylamine;hydrochloride?
The InChIKey is KVUJGSAWTSPTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6FNO.ClH/c1-2(3)4-5;/h2,4-5H,1H3;1H.
What are the key properties of N-(1-fluoroethyl)hydroxylamine;hydrochloride?
N-(1-fluoroethyl)hydroxylamine;hydrochloride has a molecular weight of 115.53 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoroethyl)hydroxylamine;hydrochloride is sourced from PubChem (CID 87861287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).