2-ethyl-2-fluoro-4-methylpentan-1-ol

C8H17FO — CID 160606939

IUPAC2-ethyl-2-fluoro-4-methylpentan-1-ol
SMILESCCC(F)(CO)CC(C)C
InChIInChI=1S/C8H17FO/c1-4-8(9,6-10)5-7(2)3/h7,10H,4-6H2,1-3H3
InChIKeyIEFPBAJJFKIJBS-UHFFFAOYSA-N
MW148.22 g/mol
LogP2.14
Rot. Bonds4

About 2-ethyl-2-fluoro-4-methylpentan-1-ol

2-ethyl-2-fluoro-4-methylpentan-1-ol (PubChem CID 160606939) has the molecular formula C8H17FO and a molecular weight of 148.22 g/mol. Its IUPAC name is 2-ethyl-2-fluoro-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-fluoro-4-methylpentan-1-ol
PubChem CID160606939
Molecular FormulaC8H17FO
Molecular Weight148.22 g/mol
Exact Mass148.13
IUPAC Name2-ethyl-2-fluoro-4-methylpentan-1-ol
SMILESCCC(F)(CO)CC(C)C
InChIInChI=1S/C8H17FO/c1-4-8(9,6-10)5-7(2)3/h7,10H,4-6H2,1-3H3
InChIKeyIEFPBAJJFKIJBS-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-fluoro-4-methylpentan-1-ol?
The IUPAC name of 2-ethyl-2-fluoro-4-methylpentan-1-ol (CID 160606939) is 2-ethyl-2-fluoro-4-methylpentan-1-ol.
What is the SMILES notation for 2-ethyl-2-fluoro-4-methylpentan-1-ol?
The canonical SMILES for 2-ethyl-2-fluoro-4-methylpentan-1-ol is CCC(F)(CO)CC(C)C.
What is the InChIKey of 2-ethyl-2-fluoro-4-methylpentan-1-ol?
The InChIKey is IEFPBAJJFKIJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO/c1-4-8(9,6-10)5-7(2)3/h7,10H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-2-fluoro-4-methylpentan-1-ol?
2-ethyl-2-fluoro-4-methylpentan-1-ol has a molecular weight of 148.22 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-fluoro-4-methylpentan-1-ol is sourced from PubChem (CID 160606939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).