fluoromethyl nitrite

CH2FNO2 — CID 174638091

IUPACfluoromethyl nitrite
SMILESO=NOCF
InChIInChI=1S/CH2FNO2/c2-1-5-3-4/h1H2
InChIKeyQENUDWVDIOBEGJ-UHFFFAOYSA-N
MW79.03 g/mol
LogP0.61
Rot. Bonds2

About fluoromethyl nitrite

fluoromethyl nitrite (PubChem CID 174638091) has the molecular formula CH2FNO2 and a molecular weight of 79.03 g/mol. Its IUPAC name is fluoromethyl nitrite.

Molecular Properties

Compound Namefluoromethyl nitrite
PubChem CID174638091
Molecular FormulaCH2FNO2
Molecular Weight79.03 g/mol
Exact Mass79.01
IUPAC Namefluoromethyl nitrite
SMILESO=NOCF
InChIInChI=1S/CH2FNO2/c2-1-5-3-4/h1H2
InChIKeyQENUDWVDIOBEGJ-UHFFFAOYSA-N
XLogP0.61
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.03
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl nitrite
CID 8026
5-nitrosooxypentyl nitrite
CID 3539614
ethyl nitrite;silver
CID 174852186
[(2R)-2-hydroxypropyl] nitrite
CID 150898470
4-chlorobutyl nitrite
CID 55302210
1-deuteriobutyl nitrite
CID 154638986
1-[2-(fluoromethoxy)ethoxy]-2-[2-[2-(fluoromethoxy)ethoxy]ethoxy]ethane
CID 11021545
16-(trioxidanylperoxyperoxy)hexadecyl nitrite
CID 88540912
2-aminobutyl nitrite
CID 87072378
(2,4-difluorophenyl)methyl nitrite
CID 174767305
3-methylbutyl nitrite;nitrous acid
CID 89396637
2-cyclohexylethyl nitrite
CID 125485427

Frequently Asked Questions

What is the IUPAC name of fluoromethyl nitrite?
The IUPAC name of fluoromethyl nitrite (CID 174638091) is fluoromethyl nitrite.
What is the SMILES notation for fluoromethyl nitrite?
The canonical SMILES for fluoromethyl nitrite is O=NOCF.
What is the InChIKey of fluoromethyl nitrite?
The InChIKey is QENUDWVDIOBEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2FNO2/c2-1-5-3-4/h1H2.
What are the key properties of fluoromethyl nitrite?
fluoromethyl nitrite has a molecular weight of 79.03 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl nitrite is sourced from PubChem (CID 174638091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).