(4-fluoro-4-methylpentan-2-yl) hypofluorite

C6H12F2O — CID 59550056

IUPAC(4-fluoro-4-methylpentan-2-yl) hypofluorite
SMILESCC(CC(C)(C)F)OF
InChIInChI=1S/C6H12F2O/c1-5(9-8)4-6(2,3)7/h5H,4H2,1-3H3
InChIKeyMTAJNWHATQUWGG-UHFFFAOYSA-N
MW138.16 g/mol
LogP2.41
Rot. Bonds3

About (4-fluoro-4-methylpentan-2-yl) hypofluorite

(4-fluoro-4-methylpentan-2-yl) hypofluorite (PubChem CID 59550056) has the molecular formula C6H12F2O and a molecular weight of 138.16 g/mol. Its IUPAC name is (4-fluoro-4-methylpentan-2-yl) hypofluorite.

Molecular Properties

Compound Name(4-fluoro-4-methylpentan-2-yl) hypofluorite
PubChem CID59550056
Molecular FormulaC6H12F2O
Molecular Weight138.16 g/mol
Exact Mass138.09
IUPAC Name(4-fluoro-4-methylpentan-2-yl) hypofluorite
SMILESCC(CC(C)(C)F)OF
InChIInChI=1S/C6H12F2O/c1-5(9-8)4-6(2,3)7/h5H,4H2,1-3H3
InChIKeyMTAJNWHATQUWGG-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-4-methylpentan-2-yl) hypofluorite?
The IUPAC name of (4-fluoro-4-methylpentan-2-yl) hypofluorite (CID 59550056) is (4-fluoro-4-methylpentan-2-yl) hypofluorite.
What is the SMILES notation for (4-fluoro-4-methylpentan-2-yl) hypofluorite?
The canonical SMILES for (4-fluoro-4-methylpentan-2-yl) hypofluorite is CC(CC(C)(C)F)OF.
What is the InChIKey of (4-fluoro-4-methylpentan-2-yl) hypofluorite?
The InChIKey is MTAJNWHATQUWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O/c1-5(9-8)4-6(2,3)7/h5H,4H2,1-3H3.
What are the key properties of (4-fluoro-4-methylpentan-2-yl) hypofluorite?
(4-fluoro-4-methylpentan-2-yl) hypofluorite has a molecular weight of 138.16 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-4-methylpentan-2-yl) hypofluorite is sourced from PubChem (CID 59550056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).