1,1,1-trifluoro-2-(fluoromethyl)-4-methoxybutane

C6H10F4O — CID 58870490

IUPAC1,1,1-trifluoro-2-(fluoromethyl)-4-methoxybutane
SMILESCOCCC(CF)C(F)(F)F
InChIInChI=1S/C6H10F4O/c1-11-3-2-5(4-7)6(8,9)10/h5H,2-4H2,1H3
InChIKeyIYOIOMCPRDMYJU-UHFFFAOYSA-N
MW174.14 g/mol
LogP2.17
Rot. Bonds4

About 1,1,1-trifluoro-2-(fluoromethyl)-4-methoxybutane

1,1,1-trifluoro-2-(fluoromethyl)-4-methoxybutane (PubChem CID 58870490) has the molecular formula C6H10F4O and a molecular weight of 174.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(fluoromethyl)-4-methoxybutane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(fluoromethyl)-4-methoxybutane
PubChem CID58870490
Molecular FormulaC6H10F4O
Molecular Weight174.14 g/mol
Exact Mass174.07
IUPAC Name1,1,1-trifluoro-2-(fluoromethyl)-4-methoxybutane
SMILESCOCCC(CF)C(F)(F)F
InChIInChI=1S/C6H10F4O/c1-11-3-2-5(4-7)6(8,9)10/h5H,2-4H2,1H3
InChIKeyIYOIOMCPRDMYJU-UHFFFAOYSA-N
XLogP2.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(fluoromethyl)-4-methoxybutane?
The IUPAC name of 1,1,1-trifluoro-2-(fluoromethyl)-4-methoxybutane (CID 58870490) is 1,1,1-trifluoro-2-(fluoromethyl)-4-methoxybutane.
What is the SMILES notation for 1,1,1-trifluoro-2-(fluoromethyl)-4-methoxybutane?
The canonical SMILES for 1,1,1-trifluoro-2-(fluoromethyl)-4-methoxybutane is COCCC(CF)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(fluoromethyl)-4-methoxybutane?
The InChIKey is IYOIOMCPRDMYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4O/c1-11-3-2-5(4-7)6(8,9)10/h5H,2-4H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(fluoromethyl)-4-methoxybutane?
1,1,1-trifluoro-2-(fluoromethyl)-4-methoxybutane has a molecular weight of 174.14 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(fluoromethyl)-4-methoxybutane is sourced from PubChem (CID 58870490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).