1,1,1-trifluoro-2,2-dimethoxypropane

C5H9F3O2 — CID 18927606

IUPAC1,1,1-trifluoro-2,2-dimethoxypropane
SMILESCOC(C)(OC)C(F)(F)F
InChIInChI=1S/C5H9F3O2/c1-4(9-2,10-3)5(6,7)8/h1-3H3
InChIKeyQVUMNDQLRQNLAW-UHFFFAOYSA-N
MW158.12 g/mol
LogP1.56
Rot. Bonds2

About 1,1,1-trifluoro-2,2-dimethoxypropane

1,1,1-trifluoro-2,2-dimethoxypropane (PubChem CID 18927606) has the molecular formula C5H9F3O2 and a molecular weight of 158.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,2-dimethoxypropane.

Molecular Properties

Compound Name1,1,1-trifluoro-2,2-dimethoxypropane
PubChem CID18927606
Molecular FormulaC5H9F3O2
Molecular Weight158.12 g/mol
Exact Mass158.06
IUPAC Name1,1,1-trifluoro-2,2-dimethoxypropane
SMILESCOC(C)(OC)C(F)(F)F
InChIInChI=1S/C5H9F3O2/c1-4(9-2,10-3)5(6,7)8/h1-3H3
InChIKeyQVUMNDQLRQNLAW-UHFFFAOYSA-N
XLogP1.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.12
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,2-dimethoxypropane?
The IUPAC name of 1,1,1-trifluoro-2,2-dimethoxypropane (CID 18927606) is 1,1,1-trifluoro-2,2-dimethoxypropane.
What is the SMILES notation for 1,1,1-trifluoro-2,2-dimethoxypropane?
The canonical SMILES for 1,1,1-trifluoro-2,2-dimethoxypropane is COC(C)(OC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,2-dimethoxypropane?
The InChIKey is QVUMNDQLRQNLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O2/c1-4(9-2,10-3)5(6,7)8/h1-3H3.
What are the key properties of 1,1,1-trifluoro-2,2-dimethoxypropane?
1,1,1-trifluoro-2,2-dimethoxypropane has a molecular weight of 158.12 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,2-dimethoxypropane is sourced from PubChem (CID 18927606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).