(1,2-dideuterio-1,1,3,3,3-pentafluoropropan-2-yl) hypofluorite

C3H2F6O — CID 140845523

IUPAC(1,2-dideuterio-1,1,3,3,3-pentafluoropropan-2-yl) hypofluorite
SMILES[2H]C(F)(F)C([2H])(OF)C(F)(F)F
InChIInChI=1S/C3H2F6O/c4-2(5)1(10-9)3(6,7)8/h1-2H/i1D,2D
InChIKeyDKPJBSHGFSWHRQ-QDNHWIQGSA-N
MW170.05 g/mol
LogP2.08
Rot. Bonds2

About (1,2-dideuterio-1,1,3,3,3-pentafluoropropan-2-yl) hypofluorite

(1,2-dideuterio-1,1,3,3,3-pentafluoropropan-2-yl) hypofluorite (PubChem CID 140845523) has the molecular formula C3H2F6O and a molecular weight of 170.05 g/mol. Its IUPAC name is (1,2-dideuterio-1,1,3,3,3-pentafluoropropan-2-yl) hypofluorite.

Molecular Properties

Compound Name(1,2-dideuterio-1,1,3,3,3-pentafluoropropan-2-yl) hypofluorite
PubChem CID140845523
Molecular FormulaC3H2F6O
Molecular Weight170.05 g/mol
Exact Mass170.01
IUPAC Name(1,2-dideuterio-1,1,3,3,3-pentafluoropropan-2-yl) hypofluorite
SMILES[2H]C(F)(F)C([2H])(OF)C(F)(F)F
InChIInChI=1S/C3H2F6O/c4-2(5)1(10-9)3(6,7)8/h1-2H/i1D,2D
InChIKeyDKPJBSHGFSWHRQ-QDNHWIQGSA-N
XLogP2.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.05
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1,2-dideuterio-1,1,3,3,3-pentafluoropropan-2-yl) hypofluorite?
The IUPAC name of (1,2-dideuterio-1,1,3,3,3-pentafluoropropan-2-yl) hypofluorite (CID 140845523) is (1,2-dideuterio-1,1,3,3,3-pentafluoropropan-2-yl) hypofluorite.
What is the SMILES notation for (1,2-dideuterio-1,1,3,3,3-pentafluoropropan-2-yl) hypofluorite?
The canonical SMILES for (1,2-dideuterio-1,1,3,3,3-pentafluoropropan-2-yl) hypofluorite is [2H]C(F)(F)C([2H])(OF)C(F)(F)F.
What is the InChIKey of (1,2-dideuterio-1,1,3,3,3-pentafluoropropan-2-yl) hypofluorite?
The InChIKey is DKPJBSHGFSWHRQ-QDNHWIQGSA-N. The full InChI is InChI=1S/C3H2F6O/c4-2(5)1(10-9)3(6,7)8/h1-2H/i1D,2D.
What are the key properties of (1,2-dideuterio-1,1,3,3,3-pentafluoropropan-2-yl) hypofluorite?
(1,2-dideuterio-1,1,3,3,3-pentafluoropropan-2-yl) hypofluorite has a molecular weight of 170.05 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dideuterio-1,1,3,3,3-pentafluoropropan-2-yl) hypofluorite is sourced from PubChem (CID 140845523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).