(4-fluoro-3-methylbutan-2-yl) hypofluorite

C5H10F2O — CID 20802300

IUPAC(4-fluoro-3-methylbutan-2-yl) hypofluorite
SMILESCC(CF)C(C)OF
InChIInChI=1S/C5H10F2O/c1-4(3-6)5(2)8-7/h4-5H,3H2,1-2H3
InChIKeyQRVSMCMJHZFEIH-UHFFFAOYSA-N
MW124.13 g/mol
LogP1.88
Rot. Bonds3

About (4-fluoro-3-methylbutan-2-yl) hypofluorite

(4-fluoro-3-methylbutan-2-yl) hypofluorite (PubChem CID 20802300) has the molecular formula C5H10F2O and a molecular weight of 124.13 g/mol. Its IUPAC name is (4-fluoro-3-methylbutan-2-yl) hypofluorite.

Molecular Properties

Compound Name(4-fluoro-3-methylbutan-2-yl) hypofluorite
PubChem CID20802300
Molecular FormulaC5H10F2O
Molecular Weight124.13 g/mol
Exact Mass124.07
IUPAC Name(4-fluoro-3-methylbutan-2-yl) hypofluorite
SMILESCC(CF)C(C)OF
InChIInChI=1S/C5H10F2O/c1-4(3-6)5(2)8-7/h4-5H,3H2,1-2H3
InChIKeyQRVSMCMJHZFEIH-UHFFFAOYSA-N
XLogP1.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.13
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Fluoro-3-methoxy-2-methylbutane
CID 12700782
2-Methyl-3-(trifluoromethoxy)butane
CID 58300510
2-Methyl-3-(2,2,2-trifluoroethoxy)butane
CID 59061021
1,1,1-Trifluoro-2-methoxy-3-methylbutane
CID 59790373
(5-Fluoro-4-methylpentan-2-yl) hypofluorite
CID 60058113
2-(Difluoromethoxy)-3-methylbutane
CID 89040195
1-(1,3-Difluoropropan-2-yloxy)-2-methylpropane
CID 91071760
3-Methylbutan-2-yl hypofluorite
CID 145852562
(3S)-2-methyl-3-(trifluoromethoxy)butane
CID 148618056
2-Ethoxy-1,1,1-trifluoro-3-methylbutane
CID 148809474
(3R)-1,1,1-trifluoro-3-methoxy-2-methylbutane
CID 162597610
(2R)-1,4-difluoro-3-methoxy-2-methylpentane
CID 163574640

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylbutan-2-yl) hypofluorite?
The IUPAC name of (4-fluoro-3-methylbutan-2-yl) hypofluorite (CID 20802300) is (4-fluoro-3-methylbutan-2-yl) hypofluorite.
What is the SMILES notation for (4-fluoro-3-methylbutan-2-yl) hypofluorite?
The canonical SMILES for (4-fluoro-3-methylbutan-2-yl) hypofluorite is CC(CF)C(C)OF.
What is the InChIKey of (4-fluoro-3-methylbutan-2-yl) hypofluorite?
The InChIKey is QRVSMCMJHZFEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O/c1-4(3-6)5(2)8-7/h4-5H,3H2,1-2H3.
What are the key properties of (4-fluoro-3-methylbutan-2-yl) hypofluorite?
(4-fluoro-3-methylbutan-2-yl) hypofluorite has a molecular weight of 124.13 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylbutan-2-yl) hypofluorite is sourced from PubChem (CID 20802300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).