2-fluoro-2-propan-2-yloxypropane

C6H13FO — CID 58366789

IUPAC2-fluoro-2-propan-2-yloxypropane
SMILESCC(C)OC(C)(C)F
InChIInChI=1S/C6H13FO/c1-5(2)8-6(3,4)7/h5H,1-4H3
InChIKeyLFJAEDSDCSODAX-UHFFFAOYSA-N
MW120.17 g/mol
LogP2.12
Rot. Bonds2

About 2-fluoro-2-propan-2-yloxypropane

2-fluoro-2-propan-2-yloxypropane (PubChem CID 58366789) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is 2-fluoro-2-propan-2-yloxypropane.

Molecular Properties

Compound Name2-fluoro-2-propan-2-yloxypropane
PubChem CID58366789
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name2-fluoro-2-propan-2-yloxypropane
SMILESCC(C)OC(C)(C)F
InChIInChI=1S/C6H13FO/c1-5(2)8-6(3,4)7/h5H,1-4H3
InChIKeyLFJAEDSDCSODAX-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-propan-2-yloxypropane?
The IUPAC name of 2-fluoro-2-propan-2-yloxypropane (CID 58366789) is 2-fluoro-2-propan-2-yloxypropane.
What is the SMILES notation for 2-fluoro-2-propan-2-yloxypropane?
The canonical SMILES for 2-fluoro-2-propan-2-yloxypropane is CC(C)OC(C)(C)F.
What is the InChIKey of 2-fluoro-2-propan-2-yloxypropane?
The InChIKey is LFJAEDSDCSODAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-5(2)8-6(3,4)7/h5H,1-4H3.
What are the key properties of 2-fluoro-2-propan-2-yloxypropane?
2-fluoro-2-propan-2-yloxypropane has a molecular weight of 120.17 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-propan-2-yloxypropane is sourced from PubChem (CID 58366789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).