2,2-difluorooxetane;fluoromethane;molecular fluorine

C4H7F5O — CID 157131150

IUPAC2,2-difluorooxetane;fluoromethane;molecular fluorine
SMILESCF.FC1(F)CCO1.FF
InChIInChI=1S/C3H4F2O.CH3F.F2/c4-3(5)1-2-6-3;2*1-2/h1-2H2;1H3;
InChIKeyAJBZCZDLANGHHO-UHFFFAOYSA-N
MW166.09 g/mol
LogP2.43
Rot. Bonds

About 2,2-difluorooxetane;fluoromethane;molecular fluorine

2,2-difluorooxetane;fluoromethane;molecular fluorine (PubChem CID 157131150) has the molecular formula C4H7F5O and a molecular weight of 166.09 g/mol. Its IUPAC name is 2,2-difluorooxetane;fluoromethane;molecular fluorine.

Molecular Properties

Compound Name2,2-difluorooxetane;fluoromethane;molecular fluorine
PubChem CID157131150
Molecular FormulaC4H7F5O
Molecular Weight166.09 g/mol
Exact Mass166.04
IUPAC Name2,2-difluorooxetane;fluoromethane;molecular fluorine
SMILESCF.FC1(F)CCO1.FF
InChIInChI=1S/C3H4F2O.CH3F.F2/c4-3(5)1-2-6-3;2*1-2/h1-2H2;1H3;
InChIKeyAJBZCZDLANGHHO-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.09
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,2-difluorooxirane
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1-fluoro-1-methylcyclopropane
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2,2,6,6-tetramethyl-1,3-dioxocane
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2-(bromomethyl)-2-fluorooxetane
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2-ethyl-2-fluorooxolane;fluoroethane;fluoromethane
CID 91569034
2-fluoro-2-pentyloxetane
CID 139385698
2-methyl-2-[4-(2-methyloxetan-2-yl)phenyl]oxetane
CID 66751710
ethane;5-methyl-1-oxa-5-azaspiro[3.3]heptane
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(2R)-2-methyloxetane-2-carboxylic acid
CID 97031044

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorooxetane;fluoromethane;molecular fluorine?
The IUPAC name of 2,2-difluorooxetane;fluoromethane;molecular fluorine (CID 157131150) is 2,2-difluorooxetane;fluoromethane;molecular fluorine.
What is the SMILES notation for 2,2-difluorooxetane;fluoromethane;molecular fluorine?
The canonical SMILES for 2,2-difluorooxetane;fluoromethane;molecular fluorine is CF.FC1(F)CCO1.FF.
What is the InChIKey of 2,2-difluorooxetane;fluoromethane;molecular fluorine?
The InChIKey is AJBZCZDLANGHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2O.CH3F.F2/c4-3(5)1-2-6-3;2*1-2/h1-2H2;1H3;.
What are the key properties of 2,2-difluorooxetane;fluoromethane;molecular fluorine?
2,2-difluorooxetane;fluoromethane;molecular fluorine has a molecular weight of 166.09 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorooxetane;fluoromethane;molecular fluorine is sourced from PubChem (CID 157131150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).