2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane

C3H2F6O — CID 2724852

IUPAC2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane
SMILES[2H]OC([2H])(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H/i1D,10D
InChIKeyBYEAHWXPCBROCE-AWPANEGFSA-N
MW170.05 g/mol
LogP1.47
Rot. Bonds1

About 2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane

2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane (PubChem CID 2724852) has the molecular formula C3H2F6O and a molecular weight of 170.05 g/mol. Its IUPAC name is 2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane
PubChem CID2724852
Molecular FormulaC3H2F6O
Molecular Weight170.05 g/mol
Exact Mass170.01
IUPAC Name2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane
SMILES[2H]OC([2H])(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H/i1D,10D
InChIKeyBYEAHWXPCBROCE-AWPANEGFSA-N
XLogP1.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.05
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of 2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane (CID 2724852) is 2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for 2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for 2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane is [2H]OC([2H])(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane?
The InChIKey is BYEAHWXPCBROCE-AWPANEGFSA-N. The full InChI is InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H/i1D,10D.
What are the key properties of 2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane?
2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane has a molecular weight of 170.05 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 2724852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).