2-(2-fluoroethoxy)-2,3,3-trimethylpentane

C10H21FO — CID 130457073

IUPAC2-(2-fluoroethoxy)-2,3,3-trimethylpentane
SMILESCCC(C)(C)C(C)(C)OCCF
InChIInChI=1S/C10H21FO/c1-6-9(2,3)10(4,5)12-8-7-11/h6-8H2,1-5H3
InChIKeyUTUKVYOYFSAOHT-UHFFFAOYSA-N
MW176.27 g/mol
LogP3.19
Rot. Bonds5

About 2-(2-fluoroethoxy)-2,3,3-trimethylpentane

2-(2-fluoroethoxy)-2,3,3-trimethylpentane (PubChem CID 130457073) has the molecular formula C10H21FO and a molecular weight of 176.27 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-2,3,3-trimethylpentane.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-2,3,3-trimethylpentane
PubChem CID130457073
Molecular FormulaC10H21FO
Molecular Weight176.27 g/mol
Exact Mass176.16
IUPAC Name2-(2-fluoroethoxy)-2,3,3-trimethylpentane
SMILESCCC(C)(C)C(C)(C)OCCF
InChIInChI=1S/C10H21FO/c1-6-9(2,3)10(4,5)12-8-7-11/h6-8H2,1-5H3
InChIKeyUTUKVYOYFSAOHT-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-2,3,3-trimethylpentane?
The IUPAC name of 2-(2-fluoroethoxy)-2,3,3-trimethylpentane (CID 130457073) is 2-(2-fluoroethoxy)-2,3,3-trimethylpentane.
What is the SMILES notation for 2-(2-fluoroethoxy)-2,3,3-trimethylpentane?
The canonical SMILES for 2-(2-fluoroethoxy)-2,3,3-trimethylpentane is CCC(C)(C)C(C)(C)OCCF.
What is the InChIKey of 2-(2-fluoroethoxy)-2,3,3-trimethylpentane?
The InChIKey is UTUKVYOYFSAOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FO/c1-6-9(2,3)10(4,5)12-8-7-11/h6-8H2,1-5H3.
What are the key properties of 2-(2-fluoroethoxy)-2,3,3-trimethylpentane?
2-(2-fluoroethoxy)-2,3,3-trimethylpentane has a molecular weight of 176.27 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-2,3,3-trimethylpentane is sourced from PubChem (CID 130457073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).