1,3-dichloro-1,1,3,3-tetrafluoropropane-2,2-diol

C3H2Cl2F4O2 — CID 71421466

IUPAC1,3-dichloro-1,1,3,3-tetrafluoropropane-2,2-diol
SMILESOC(O)(C(F)(F)Cl)C(F)(F)Cl
InChIInChI=1S/C3H2Cl2F4O2/c4-2(6,7)1(10,11)3(5,8)9/h10-11H
InChIKeyDVDJRQXHRSFVHB-UHFFFAOYSA-N
MW216.95 g/mol
LogP1.33
Rot. Bonds2

About 1,3-dichloro-1,1,3,3-tetrafluoropropane-2,2-diol

1,3-dichloro-1,1,3,3-tetrafluoropropane-2,2-diol (PubChem CID 71421466) has the molecular formula C3H2Cl2F4O2 and a molecular weight of 216.95 g/mol. Its IUPAC name is 1,3-dichloro-1,1,3,3-tetrafluoropropane-2,2-diol.

Molecular Properties

Compound Name1,3-dichloro-1,1,3,3-tetrafluoropropane-2,2-diol
PubChem CID71421466
Molecular FormulaC3H2Cl2F4O2
Molecular Weight216.95 g/mol
Exact Mass215.94
IUPAC Name1,3-dichloro-1,1,3,3-tetrafluoropropane-2,2-diol
SMILESOC(O)(C(F)(F)Cl)C(F)(F)Cl
InChIInChI=1S/C3H2Cl2F4O2/c4-2(6,7)1(10,11)3(5,8)9/h10-11H
InChIKeyDVDJRQXHRSFVHB-UHFFFAOYSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.95
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-1,1,3,3-tetrafluoropropane-2,2-diol?
The IUPAC name of 1,3-dichloro-1,1,3,3-tetrafluoropropane-2,2-diol (CID 71421466) is 1,3-dichloro-1,1,3,3-tetrafluoropropane-2,2-diol.
What is the SMILES notation for 1,3-dichloro-1,1,3,3-tetrafluoropropane-2,2-diol?
The canonical SMILES for 1,3-dichloro-1,1,3,3-tetrafluoropropane-2,2-diol is OC(O)(C(F)(F)Cl)C(F)(F)Cl.
What is the InChIKey of 1,3-dichloro-1,1,3,3-tetrafluoropropane-2,2-diol?
The InChIKey is DVDJRQXHRSFVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl2F4O2/c4-2(6,7)1(10,11)3(5,8)9/h10-11H.
What are the key properties of 1,3-dichloro-1,1,3,3-tetrafluoropropane-2,2-diol?
1,3-dichloro-1,1,3,3-tetrafluoropropane-2,2-diol has a molecular weight of 216.95 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-1,1,3,3-tetrafluoropropane-2,2-diol is sourced from PubChem (CID 71421466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).