1,1,2,3,3-pentafluoro-4-methoxybutane

C5H7F5O — CID 19063473

IUPAC1,1,2,3,3-pentafluoro-4-methoxybutane
SMILESCOCC(F)(F)C(F)C(F)F
InChIInChI=1S/C5H7F5O/c1-11-2-5(9,10)3(6)4(7)8/h3-4H,2H2,1H3
InChIKeyNFGKLJBFQPUTLY-UHFFFAOYSA-N
MW178.10 g/mol
LogP1.87
Rot. Bonds4

About 1,1,2,3,3-pentafluoro-4-methoxybutane

1,1,2,3,3-pentafluoro-4-methoxybutane (PubChem CID 19063473) has the molecular formula C5H7F5O and a molecular weight of 178.10 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoro-4-methoxybutane.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoro-4-methoxybutane
PubChem CID19063473
Molecular FormulaC5H7F5O
Molecular Weight178.10 g/mol
Exact Mass178.04
IUPAC Name1,1,2,3,3-pentafluoro-4-methoxybutane
SMILESCOCC(F)(F)C(F)C(F)F
InChIInChI=1S/C5H7F5O/c1-11-2-5(9,10)3(6)4(7)8/h3-4H,2H2,1H3
InChIKeyNFGKLJBFQPUTLY-UHFFFAOYSA-N
XLogP1.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.10
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoro-4-methoxybutane?
The IUPAC name of 1,1,2,3,3-pentafluoro-4-methoxybutane (CID 19063473) is 1,1,2,3,3-pentafluoro-4-methoxybutane.
What is the SMILES notation for 1,1,2,3,3-pentafluoro-4-methoxybutane?
The canonical SMILES for 1,1,2,3,3-pentafluoro-4-methoxybutane is COCC(F)(F)C(F)C(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoro-4-methoxybutane?
The InChIKey is NFGKLJBFQPUTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5O/c1-11-2-5(9,10)3(6)4(7)8/h3-4H,2H2,1H3.
What are the key properties of 1,1,2,3,3-pentafluoro-4-methoxybutane?
1,1,2,3,3-pentafluoro-4-methoxybutane has a molecular weight of 178.10 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoro-4-methoxybutane is sourced from PubChem (CID 19063473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).