1,1,1-trideuterio-2-(fluoromethoxy)propane

C4H9FO — CID 142404408

IUPAC1,1,1-trideuterio-2-(fluoromethoxy)propane
SMILES[2H]C([2H])([2H])C(C)OCF
InChIInChI=1S/C4H9FO/c1-4(2)6-3-5/h4H,3H2,1-2H3/i1D3
InChIKeyDIRQDICNCZGXME-FIBGUPNXSA-N
MW95.13 g/mol
LogP1.34
Rot. Bonds3

About 1,1,1-trideuterio-2-(fluoromethoxy)propane

1,1,1-trideuterio-2-(fluoromethoxy)propane (PubChem CID 142404408) has the molecular formula C4H9FO and a molecular weight of 95.13 g/mol. Its IUPAC name is 1,1,1-trideuterio-2-(fluoromethoxy)propane.

Molecular Properties

Compound Name1,1,1-trideuterio-2-(fluoromethoxy)propane
PubChem CID142404408
Molecular FormulaC4H9FO
Molecular Weight95.13 g/mol
Exact Mass95.08
IUPAC Name1,1,1-trideuterio-2-(fluoromethoxy)propane
SMILES[2H]C([2H])([2H])C(C)OCF
InChIInChI=1S/C4H9FO/c1-4(2)6-3-5/h4H,3H2,1-2H3/i1D3
InChIKeyDIRQDICNCZGXME-FIBGUPNXSA-N
XLogP1.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.13
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trideuterio-2-(fluoromethoxy)propane?
The IUPAC name of 1,1,1-trideuterio-2-(fluoromethoxy)propane (CID 142404408) is 1,1,1-trideuterio-2-(fluoromethoxy)propane.
What is the SMILES notation for 1,1,1-trideuterio-2-(fluoromethoxy)propane?
The canonical SMILES for 1,1,1-trideuterio-2-(fluoromethoxy)propane is [2H]C([2H])([2H])C(C)OCF.
What is the InChIKey of 1,1,1-trideuterio-2-(fluoromethoxy)propane?
The InChIKey is DIRQDICNCZGXME-FIBGUPNXSA-N. The full InChI is InChI=1S/C4H9FO/c1-4(2)6-3-5/h4H,3H2,1-2H3/i1D3.
What are the key properties of 1,1,1-trideuterio-2-(fluoromethoxy)propane?
1,1,1-trideuterio-2-(fluoromethoxy)propane has a molecular weight of 95.13 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trideuterio-2-(fluoromethoxy)propane is sourced from PubChem (CID 142404408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).