isocyanoformyl fluoride;dihydrochloride

C4H2Cl2F2N2O2 — CID 173432088

IUPACisocyanoformyl fluoride;dihydrochloride
SMILESCl.Cl.[C-]#[N+]C(=O)F.[C-]#[N+]C(=O)F
InChIInChI=1S/2C2FNO.2ClH/c2*1-4-2(3)5;;/h;;2*1H
InChIKeyMHUXKCZYKRXDHV-UHFFFAOYSA-N
MW218.97 g/mol
LogP2.83
Rot. Bonds

About isocyanoformyl fluoride;dihydrochloride

isocyanoformyl fluoride;dihydrochloride (PubChem CID 173432088) has the molecular formula C4H2Cl2F2N2O2 and a molecular weight of 218.97 g/mol. Its IUPAC name is isocyanoformyl fluoride;dihydrochloride.

Molecular Properties

Compound Nameisocyanoformyl fluoride;dihydrochloride
PubChem CID173432088
Molecular FormulaC4H2Cl2F2N2O2
Molecular Weight218.97 g/mol
Exact Mass217.95
IUPAC Nameisocyanoformyl fluoride;dihydrochloride
SMILESCl.Cl.[C-]#[N+]C(=O)F.[C-]#[N+]C(=O)F
InChIInChI=1S/2C2FNO.2ClH/c2*1-4-2(3)5;;/h;;2*1H
InChIKeyMHUXKCZYKRXDHV-UHFFFAOYSA-N
XLogP2.83
TPSA42.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.97
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbamoyl fluoride;hydrochloride
CID 175206669
acetyl fluoride;hydrochloride
CID 157205007
argon;carbonyl difluoride
CID 174628174
carbonofluoridic acid
CID 118456839
2-fluoropropanedioyl difluoride
CID 13319075
propanoyl isocyanide
CID 59306289
phosphanylformyl fluoride
CID 175691022
carbonofluoridic acid;thorium
CID 88532553
2-fluoroprop-2-enoic acid;hydrochloride
CID 87142297
2,2-difluoroacetyl chloride;hydrochloride
CID 162572383
(2S)-2-chloro-2-fluoroacetyl fluoride
CID 26985820
(Z)-3-hydroxy-4-isocyanopent-3-en-2-one
CID 22977822

Frequently Asked Questions

What is the IUPAC name of isocyanoformyl fluoride;dihydrochloride?
The IUPAC name of isocyanoformyl fluoride;dihydrochloride (CID 173432088) is isocyanoformyl fluoride;dihydrochloride.
What is the SMILES notation for isocyanoformyl fluoride;dihydrochloride?
The canonical SMILES for isocyanoformyl fluoride;dihydrochloride is Cl.Cl.[C-]#[N+]C(=O)F.[C-]#[N+]C(=O)F.
What is the InChIKey of isocyanoformyl fluoride;dihydrochloride?
The InChIKey is MHUXKCZYKRXDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2FNO.2ClH/c2*1-4-2(3)5;;/h;;2*1H.
What are the key properties of isocyanoformyl fluoride;dihydrochloride?
isocyanoformyl fluoride;dihydrochloride has a molecular weight of 218.97 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanoformyl fluoride;dihydrochloride is sourced from PubChem (CID 173432088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).