1-chloro-1,1-difluoroethane;hydrate

C2H5ClF2O — CID 22410972

IUPAC1-chloro-1,1-difluoroethane;hydrate
SMILESCC(F)(F)Cl.O
InChIInChI=1S/C2H3ClF2.H2O/c1-2(3,4)5;/h1H3;1H2
InChIKeyPNNOZCHKIWRQRV-UHFFFAOYSA-N
MW118.51 g/mol
LogP1.01
Rot. Bonds

About 1-chloro-1,1-difluoroethane;hydrate

1-chloro-1,1-difluoroethane;hydrate (PubChem CID 22410972) has the molecular formula C2H5ClF2O and a molecular weight of 118.51 g/mol. Its IUPAC name is 1-chloro-1,1-difluoroethane;hydrate.

Molecular Properties

Compound Name1-chloro-1,1-difluoroethane;hydrate
PubChem CID22410972
Molecular FormulaC2H5ClF2O
Molecular Weight118.51 g/mol
Exact Mass118.00
IUPAC Name1-chloro-1,1-difluoroethane;hydrate
SMILESCC(F)(F)Cl.O
InChIInChI=1S/C2H3ClF2.H2O/c1-2(3,4)5;/h1H3;1H2
InChIKeyPNNOZCHKIWRQRV-UHFFFAOYSA-N
XLogP1.01
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.51
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1-difluoroethane;hydrate?
The IUPAC name of 1-chloro-1,1-difluoroethane;hydrate (CID 22410972) is 1-chloro-1,1-difluoroethane;hydrate.
What is the SMILES notation for 1-chloro-1,1-difluoroethane;hydrate?
The canonical SMILES for 1-chloro-1,1-difluoroethane;hydrate is CC(F)(F)Cl.O.
What is the InChIKey of 1-chloro-1,1-difluoroethane;hydrate?
The InChIKey is PNNOZCHKIWRQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClF2.H2O/c1-2(3,4)5;/h1H3;1H2.
What are the key properties of 1-chloro-1,1-difluoroethane;hydrate?
1-chloro-1,1-difluoroethane;hydrate has a molecular weight of 118.51 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1-difluoroethane;hydrate is sourced from PubChem (CID 22410972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).