hexan-3-yl hypofluorite

C6H13FO — CID 162385792

IUPAChexan-3-yl hypofluorite
SMILESCCCC(CC)OF
InChIInChI=1S/C6H13FO/c1-3-5-6(4-2)8-7/h6H,3-5H2,1-2H3
InChIKeyRYDBOPRONYOUKG-UHFFFAOYSA-N
MW120.17 g/mol
LogP2.47
Rot. Bonds4

About hexan-3-yl hypofluorite

hexan-3-yl hypofluorite (PubChem CID 162385792) has the molecular formula C6H13FO and a molecular weight of 120.17 g/mol. Its IUPAC name is hexan-3-yl hypofluorite.

Molecular Properties

Compound Namehexan-3-yl hypofluorite
PubChem CID162385792
Molecular FormulaC6H13FO
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Namehexan-3-yl hypofluorite
SMILESCCCC(CC)OF
InChIInChI=1S/C6H13FO/c1-3-5-6(4-2)8-7/h6H,3-5H2,1-2H3
InChIKeyRYDBOPRONYOUKG-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of hexan-3-yl hypofluorite?
The IUPAC name of hexan-3-yl hypofluorite (CID 162385792) is hexan-3-yl hypofluorite.
What is the SMILES notation for hexan-3-yl hypofluorite?
The canonical SMILES for hexan-3-yl hypofluorite is CCCC(CC)OF.
What is the InChIKey of hexan-3-yl hypofluorite?
The InChIKey is RYDBOPRONYOUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO/c1-3-5-6(4-2)8-7/h6H,3-5H2,1-2H3.
What are the key properties of hexan-3-yl hypofluorite?
hexan-3-yl hypofluorite has a molecular weight of 120.17 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-3-yl hypofluorite is sourced from PubChem (CID 162385792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).