CID 102017539

C2H4ClO — CID 102017539

IUPAC—
SMILESC[C](O)Cl
InChIInChI=1S/C2H4ClO/c1-2(3)4/h4H,1H3
InChIKeyDPHNZJGNPHZODC-UHFFFAOYSA-N
MW79.51 g/mol
LogP1.11
Rot. Bonds

About CID 102017539

CID 102017539 (PubChem CID 102017539) has the molecular formula C2H4ClO and a molecular weight of 79.51 g/mol.

Molecular Properties

Compound NameCID 102017539
PubChem CID102017539
Molecular FormulaC2H4ClO
Molecular Weight79.51 g/mol
Exact Mass79.00
IUPAC Name—
SMILESC[C](O)Cl
InChIInChI=1S/C2H4ClO/c1-2(3)4/h4H,1H3
InChIKeyDPHNZJGNPHZODC-UHFFFAOYSA-N
XLogP1.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.51
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 175192206
CID 175192206
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CID 140981161
2-chlorobut-2-ene
CID 86072754
chloromethane;thiocarbonyl dichloride
CID 175090712

Frequently Asked Questions

What is the IUPAC name of CID 102017539?
The IUPAC name of CID 102017539 (CID 102017539) is not available.
What is the SMILES notation for CID 102017539?
The canonical SMILES for CID 102017539 is C[C](O)Cl.
What is the InChIKey of CID 102017539?
The InChIKey is DPHNZJGNPHZODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClO/c1-2(3)4/h4H,1H3.
What are the key properties of CID 102017539?
CID 102017539 has a molecular weight of 79.51 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102017539 is sourced from PubChem (CID 102017539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).