chloromethane;formaldehyde

C2H5ClO — CID 22660304

IUPACchloromethane;formaldehyde
SMILESC=O.CCl
InChIInChI=1S/CH3Cl.CH2O/c2*1-2/h1H3;1H2
InChIKeyKDNGRELSFNLEAO-UHFFFAOYSA-N
MW80.51 g/mol
LogP0.67
Rot. Bonds

About chloromethane;formaldehyde

chloromethane;formaldehyde (PubChem CID 22660304) has the molecular formula C2H5ClO and a molecular weight of 80.51 g/mol. Its IUPAC name is chloromethane;formaldehyde.

Molecular Properties

Compound Namechloromethane;formaldehyde
PubChem CID22660304
Molecular FormulaC2H5ClO
Molecular Weight80.51 g/mol
Exact Mass80.00
IUPAC Namechloromethane;formaldehyde
SMILESC=O.CCl
InChIInChI=1S/CH3Cl.CH2O/c2*1-2/h1H3;1H2
InChIKeyKDNGRELSFNLEAO-UHFFFAOYSA-N
XLogP0.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.51
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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formaldehyde;tetramethylazanium
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formaldehyde;2-methylpropane
CID 157396277
CID 173454908
CID 173454908
formaldehyde;rhodium
CID 173326063
formaldehyde;sulfane
CID 173389558
formaldehyde;tungsten
CID 15325697
chloromethane;silane
CID 174740640
chloromethane;chromium
CID 88680076
ethene;formaldehyde
CID 161379593
chromium;formaldehyde
CID 173024679

Frequently Asked Questions

What is the IUPAC name of chloromethane;formaldehyde?
The IUPAC name of chloromethane;formaldehyde (CID 22660304) is chloromethane;formaldehyde.
What is the SMILES notation for chloromethane;formaldehyde?
The canonical SMILES for chloromethane;formaldehyde is C=O.CCl.
What is the InChIKey of chloromethane;formaldehyde?
The InChIKey is KDNGRELSFNLEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3Cl.CH2O/c2*1-2/h1H3;1H2.
What are the key properties of chloromethane;formaldehyde?
chloromethane;formaldehyde has a molecular weight of 80.51 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;formaldehyde is sourced from PubChem (CID 22660304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).