1-chloro-1-fluoroethane;dichloromethane;methanol

C4H10Cl3FO — CID 174297915

IUPAC1-chloro-1-fluoroethane;dichloromethane;methanol
SMILESCC(F)Cl.CO.ClCCl
InChIInChI=1S/C2H4ClF.CH2Cl2.CH4O/c1-2(3)4;2-1-3;1-2/h2H,1H3;1H2;2H,1H3
InChIKeyZFQZEZXZLDYKBQ-UHFFFAOYSA-N
MW199.48 g/mol
LogP2.57
Rot. Bonds

About 1-chloro-1-fluoroethane;dichloromethane;methanol

1-chloro-1-fluoroethane;dichloromethane;methanol (PubChem CID 174297915) has the molecular formula C4H10Cl3FO and a molecular weight of 199.48 g/mol. Its IUPAC name is 1-chloro-1-fluoroethane;dichloromethane;methanol.

Molecular Properties

Compound Name1-chloro-1-fluoroethane;dichloromethane;methanol
PubChem CID174297915
Molecular FormulaC4H10Cl3FO
Molecular Weight199.48 g/mol
Exact Mass197.98
IUPAC Name1-chloro-1-fluoroethane;dichloromethane;methanol
SMILESCC(F)Cl.CO.ClCCl
InChIInChI=1S/C2H4ClF.CH2Cl2.CH4O/c1-2(3)4;2-1-3;1-2/h2H,1H3;1H2;2H,1H3
InChIKeyZFQZEZXZLDYKBQ-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-fluoroethane;dichloromethane;methanol?
The IUPAC name of 1-chloro-1-fluoroethane;dichloromethane;methanol (CID 174297915) is 1-chloro-1-fluoroethane;dichloromethane;methanol.
What is the SMILES notation for 1-chloro-1-fluoroethane;dichloromethane;methanol?
The canonical SMILES for 1-chloro-1-fluoroethane;dichloromethane;methanol is CC(F)Cl.CO.ClCCl.
What is the InChIKey of 1-chloro-1-fluoroethane;dichloromethane;methanol?
The InChIKey is ZFQZEZXZLDYKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClF.CH2Cl2.CH4O/c1-2(3)4;2-1-3;1-2/h2H,1H3;1H2;2H,1H3.
What are the key properties of 1-chloro-1-fluoroethane;dichloromethane;methanol?
1-chloro-1-fluoroethane;dichloromethane;methanol has a molecular weight of 199.48 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-fluoroethane;dichloromethane;methanol is sourced from PubChem (CID 174297915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).