(3,3,5-trifluoro-4-methylpentan-2-yl) hypofluorite

C6H10F4O — CID 20802261

IUPAC(3,3,5-trifluoro-4-methylpentan-2-yl) hypofluorite
SMILESCC(CF)C(F)(F)C(C)OF
InChIInChI=1S/C6H10F4O/c1-4(3-7)6(8,9)5(2)11-10/h4-5H,3H2,1-2H3
InChIKeyTWVSCVQIBGNWFQ-UHFFFAOYSA-N
MW174.14 g/mol
LogP2.52
Rot. Bonds4

About (3,3,5-trifluoro-4-methylpentan-2-yl) hypofluorite

(3,3,5-trifluoro-4-methylpentan-2-yl) hypofluorite (PubChem CID 20802261) has the molecular formula C6H10F4O and a molecular weight of 174.14 g/mol. Its IUPAC name is (3,3,5-trifluoro-4-methylpentan-2-yl) hypofluorite.

Molecular Properties

Compound Name(3,3,5-trifluoro-4-methylpentan-2-yl) hypofluorite
PubChem CID20802261
Molecular FormulaC6H10F4O
Molecular Weight174.14 g/mol
Exact Mass174.07
IUPAC Name(3,3,5-trifluoro-4-methylpentan-2-yl) hypofluorite
SMILESCC(CF)C(F)(F)C(C)OF
InChIInChI=1S/C6H10F4O/c1-4(3-7)6(8,9)5(2)11-10/h4-5H,3H2,1-2H3
InChIKeyTWVSCVQIBGNWFQ-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Hexafluorisopropylmethylather
CID 129635123
1,1,1,2,2,3,4,5,5,5-Decafluoro-4-methyl-3-(3-methylbutoxy)pentane
CID 19761972
1,1,1,3,3,5-Hexafluoro-4-(fluoromethoxy)-2-(fluoromethyl)pentane
CID 20743578
1,1,1-Trifluoro-2-methoxy-4-methylpentane
CID 23395519
1,1,1,2,3,4,5,5,5-Nonafluoro-2-propan-2-yloxy-4-(trifluoromethyl)pentane
CID 58114553
1,1,1,2-Tetrafluoro-3-methoxy-2-methylpentane
CID 58165689
1,1,1,3,4-Pentafluoro-3-(fluoromethoxy)-2-(fluoromethyl)pentane
CID 59203904
1,1,1,3,3-Pentafluoro-4-methylpentan-2-ol
CID 59302199
(4-Fluoro-4-methylpentan-2-yl) hypofluorite
CID 59550056
(5-Fluoro-4-methylpentan-2-yl) hypofluorite
CID 60058113
3-[1,1,2,3,3,3-Hexafluoro-2-(trifluoromethyl)propoxy]-2-methylpentane
CID 87502710
2-Butan-2-yloxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
CID 88866016

Frequently Asked Questions

What is the IUPAC name of (3,3,5-trifluoro-4-methylpentan-2-yl) hypofluorite?
The IUPAC name of (3,3,5-trifluoro-4-methylpentan-2-yl) hypofluorite (CID 20802261) is (3,3,5-trifluoro-4-methylpentan-2-yl) hypofluorite.
What is the SMILES notation for (3,3,5-trifluoro-4-methylpentan-2-yl) hypofluorite?
The canonical SMILES for (3,3,5-trifluoro-4-methylpentan-2-yl) hypofluorite is CC(CF)C(F)(F)C(C)OF.
What is the InChIKey of (3,3,5-trifluoro-4-methylpentan-2-yl) hypofluorite?
The InChIKey is TWVSCVQIBGNWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4O/c1-4(3-7)6(8,9)5(2)11-10/h4-5H,3H2,1-2H3.
What are the key properties of (3,3,5-trifluoro-4-methylpentan-2-yl) hypofluorite?
(3,3,5-trifluoro-4-methylpentan-2-yl) hypofluorite has a molecular weight of 174.14 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,5-trifluoro-4-methylpentan-2-yl) hypofluorite is sourced from PubChem (CID 20802261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).