2,2-difluoro-1-methoxy-3-propan-2-yloxypropane

C7H14F2O2 — CID 162617253

IUPAC2,2-difluoro-1-methoxy-3-propan-2-yloxypropane
SMILESCOCC(F)(F)COC(C)C
InChIInChI=1S/C7H14F2O2/c1-6(2)11-5-7(8,9)4-10-3/h6H,4-5H2,1-3H3
InChIKeyYVBASJWQLYJFRF-UHFFFAOYSA-N
MW168.18 g/mol
LogP1.69
Rot. Bonds5

About 2,2-difluoro-1-methoxy-3-propan-2-yloxypropane

2,2-difluoro-1-methoxy-3-propan-2-yloxypropane (PubChem CID 162617253) has the molecular formula C7H14F2O2 and a molecular weight of 168.18 g/mol. Its IUPAC name is 2,2-difluoro-1-methoxy-3-propan-2-yloxypropane.

Molecular Properties

Compound Name2,2-difluoro-1-methoxy-3-propan-2-yloxypropane
PubChem CID162617253
Molecular FormulaC7H14F2O2
Molecular Weight168.18 g/mol
Exact Mass168.10
IUPAC Name2,2-difluoro-1-methoxy-3-propan-2-yloxypropane
SMILESCOCC(F)(F)COC(C)C
InChIInChI=1S/C7H14F2O2/c1-6(2)11-5-7(8,9)4-10-3/h6H,4-5H2,1-3H3
InChIKeyYVBASJWQLYJFRF-UHFFFAOYSA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-methoxy-3-propan-2-yloxypropane?
The IUPAC name of 2,2-difluoro-1-methoxy-3-propan-2-yloxypropane (CID 162617253) is 2,2-difluoro-1-methoxy-3-propan-2-yloxypropane.
What is the SMILES notation for 2,2-difluoro-1-methoxy-3-propan-2-yloxypropane?
The canonical SMILES for 2,2-difluoro-1-methoxy-3-propan-2-yloxypropane is COCC(F)(F)COC(C)C.
What is the InChIKey of 2,2-difluoro-1-methoxy-3-propan-2-yloxypropane?
The InChIKey is YVBASJWQLYJFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O2/c1-6(2)11-5-7(8,9)4-10-3/h6H,4-5H2,1-3H3.
What are the key properties of 2,2-difluoro-1-methoxy-3-propan-2-yloxypropane?
2,2-difluoro-1-methoxy-3-propan-2-yloxypropane has a molecular weight of 168.18 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-methoxy-3-propan-2-yloxypropane is sourced from PubChem (CID 162617253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).