1-fluorobutane;fluoromethane;methyl hypofluorite

C6H15F3O — CID 91229918

IUPAC1-fluorobutane;fluoromethane;methyl hypofluorite
SMILESCCCCF.CF.COF
InChIInChI=1S/C4H9F.CH3FO.CH3F/c1-2-3-4-5;1-3-2;1-2/h2-4H2,1H3;1H3;1H3
InChIKeyXYTZFUGNCANHAP-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.86
Rot. Bonds2

About 1-fluorobutane;fluoromethane;methyl hypofluorite

1-fluorobutane;fluoromethane;methyl hypofluorite (PubChem CID 91229918) has the molecular formula C6H15F3O and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-fluorobutane;fluoromethane;methyl hypofluorite.

Molecular Properties

Compound Name1-fluorobutane;fluoromethane;methyl hypofluorite
PubChem CID91229918
Molecular FormulaC6H15F3O
Molecular Weight160.18 g/mol
Exact Mass160.11
IUPAC Name1-fluorobutane;fluoromethane;methyl hypofluorite
SMILESCCCCF.CF.COF
InChIInChI=1S/C4H9F.CH3FO.CH3F/c1-2-3-4-5;1-3-2;1-2/h2-4H2,1H3;1H3;1H3
InChIKeyXYTZFUGNCANHAP-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 160733041
CID 160733041
CID 160997401
CID 160997401
CID 53993180
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CID 54466790
CID 54466790
CID 87570648
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CID 87949716
CID 87949716
CID 91000174
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CID 91192433
CID 91192433

Frequently Asked Questions

What is the IUPAC name of 1-fluorobutane;fluoromethane;methyl hypofluorite?
The IUPAC name of 1-fluorobutane;fluoromethane;methyl hypofluorite (CID 91229918) is 1-fluorobutane;fluoromethane;methyl hypofluorite.
What is the SMILES notation for 1-fluorobutane;fluoromethane;methyl hypofluorite?
The canonical SMILES for 1-fluorobutane;fluoromethane;methyl hypofluorite is CCCCF.CF.COF.
What is the InChIKey of 1-fluorobutane;fluoromethane;methyl hypofluorite?
The InChIKey is XYTZFUGNCANHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F.CH3FO.CH3F/c1-2-3-4-5;1-3-2;1-2/h2-4H2,1H3;1H3;1H3.
What are the key properties of 1-fluorobutane;fluoromethane;methyl hypofluorite?
1-fluorobutane;fluoromethane;methyl hypofluorite has a molecular weight of 160.18 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutane;fluoromethane;methyl hypofluorite is sourced from PubChem (CID 91229918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).