fluoromethane;2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane;methane

C12H28F2O2 — CID 159649421

IUPACfluoromethane;2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane;methane
SMILESC.C.CC1(CF)OC(C)(C)C(C)(C)O1.CF
InChIInChI=1S/C9H17FO2.CH3F.2CH4/c1-7(2)8(3,4)12-9(5,6-10)11-7;1-2;;/h6H2,1-5H3;1H3;2*1H4
InChIKeyMRJKRWVMBOQDSQ-UHFFFAOYSA-N
MW242.35 g/mol
LogP4.13
Rot. Bonds1

About fluoromethane;2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane;methane

fluoromethane;2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane;methane (PubChem CID 159649421) has the molecular formula C12H28F2O2 and a molecular weight of 242.35 g/mol. Its IUPAC name is fluoromethane;2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane;methane.

Molecular Properties

Compound Namefluoromethane;2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane;methane
PubChem CID159649421
Molecular FormulaC12H28F2O2
Molecular Weight242.35 g/mol
Exact Mass242.21
IUPAC Namefluoromethane;2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane;methane
SMILESC.C.CC1(CF)OC(C)(C)C(C)(C)O1.CF
InChIInChI=1S/C9H17FO2.CH3F.2CH4/c1-7(2)8(3,4)12-9(5,6-10)11-7;1-2;;/h6H2,1-5H3;1H3;2*1H4
InChIKeyMRJKRWVMBOQDSQ-UHFFFAOYSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of fluoromethane;2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane;methane?
The IUPAC name of fluoromethane;2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane;methane (CID 159649421) is fluoromethane;2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane;methane.
What is the SMILES notation for fluoromethane;2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane;methane?
The canonical SMILES for fluoromethane;2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane;methane is C.C.CC1(CF)OC(C)(C)C(C)(C)O1.CF.
What is the InChIKey of fluoromethane;2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane;methane?
The InChIKey is MRJKRWVMBOQDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO2.CH3F.2CH4/c1-7(2)8(3,4)12-9(5,6-10)11-7;1-2;;/h6H2,1-5H3;1H3;2*1H4.
What are the key properties of fluoromethane;2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane;methane?
fluoromethane;2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane;methane has a molecular weight of 242.35 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane;methane is sourced from PubChem (CID 159649421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).