(2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane

C8H16F2O — CID 59127101

IUPAC(2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane
SMILESC[C@@H](COC(F)F)C(C)(C)C
InChIInChI=1S/C8H16F2O/c1-6(8(2,3)4)5-11-7(9)10/h6-7H,5H2,1-4H3/t6-/m0/s1
InChIKeyNOQMQRBJAZBBBS-LURJTMIESA-N
MW166.21 g/mol
LogP2.91
Rot. Bonds3

About (2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane

(2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane (PubChem CID 59127101) has the molecular formula C8H16F2O and a molecular weight of 166.21 g/mol. Its IUPAC name is (2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane.

Molecular Properties

Compound Name(2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane
PubChem CID59127101
Molecular FormulaC8H16F2O
Molecular Weight166.21 g/mol
Exact Mass166.12
IUPAC Name(2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane
SMILESC[C@@H](COC(F)F)C(C)(C)C
InChIInChI=1S/C8H16F2O/c1-6(8(2,3)4)5-11-7(9)10/h6-7H,5H2,1-4H3/t6-/m0/s1
InChIKeyNOQMQRBJAZBBBS-LURJTMIESA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane?
The IUPAC name of (2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane (CID 59127101) is (2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane.
What is the SMILES notation for (2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane?
The canonical SMILES for (2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane is C[C@@H](COC(F)F)C(C)(C)C.
What is the InChIKey of (2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane?
The InChIKey is NOQMQRBJAZBBBS-LURJTMIESA-N. The full InChI is InChI=1S/C8H16F2O/c1-6(8(2,3)4)5-11-7(9)10/h6-7H,5H2,1-4H3/t6-/m0/s1.
What are the key properties of (2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane?
(2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane has a molecular weight of 166.21 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(difluoromethoxy)-2,3,3-trimethylbutane is sourced from PubChem (CID 59127101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).