(2S)-2-ethyl-4-(fluoromethoxy)hexan-1-ol

C9H19FO2 — CID 89416586

IUPAC(2S)-2-ethyl-4-(fluoromethoxy)hexan-1-ol
SMILESCCC(C[C@H](CC)CO)OCF
InChIInChI=1S/C9H19FO2/c1-3-8(6-11)5-9(4-2)12-7-10/h8-9,11H,3-7H2,1-2H3/t8-,9?/m0/s1
InChIKeyVZFBYOUJJYPMCA-IENPIDJESA-N
MW178.25 g/mol
LogP2.12
Rot. Bonds7

About (2S)-2-ethyl-4-(fluoromethoxy)hexan-1-ol

(2S)-2-ethyl-4-(fluoromethoxy)hexan-1-ol (PubChem CID 89416586) has the molecular formula C9H19FO2 and a molecular weight of 178.25 g/mol. Its IUPAC name is (2S)-2-ethyl-4-(fluoromethoxy)hexan-1-ol.

Molecular Properties

Compound Name(2S)-2-ethyl-4-(fluoromethoxy)hexan-1-ol
PubChem CID89416586
Molecular FormulaC9H19FO2
Molecular Weight178.25 g/mol
Exact Mass178.14
IUPAC Name(2S)-2-ethyl-4-(fluoromethoxy)hexan-1-ol
SMILESCCC(C[C@H](CC)CO)OCF
InChIInChI=1S/C9H19FO2/c1-3-8(6-11)5-9(4-2)12-7-10/h8-9,11H,3-7H2,1-2H3/t8-,9?/m0/s1
InChIKeyVZFBYOUJJYPMCA-IENPIDJESA-N
XLogP2.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-4-(fluoromethoxy)hexan-1-ol?
The IUPAC name of (2S)-2-ethyl-4-(fluoromethoxy)hexan-1-ol (CID 89416586) is (2S)-2-ethyl-4-(fluoromethoxy)hexan-1-ol.
What is the SMILES notation for (2S)-2-ethyl-4-(fluoromethoxy)hexan-1-ol?
The canonical SMILES for (2S)-2-ethyl-4-(fluoromethoxy)hexan-1-ol is CCC(C[C@H](CC)CO)OCF.
What is the InChIKey of (2S)-2-ethyl-4-(fluoromethoxy)hexan-1-ol?
The InChIKey is VZFBYOUJJYPMCA-IENPIDJESA-N. The full InChI is InChI=1S/C9H19FO2/c1-3-8(6-11)5-9(4-2)12-7-10/h8-9,11H,3-7H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of (2S)-2-ethyl-4-(fluoromethoxy)hexan-1-ol?
(2S)-2-ethyl-4-(fluoromethoxy)hexan-1-ol has a molecular weight of 178.25 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-4-(fluoromethoxy)hexan-1-ol is sourced from PubChem (CID 89416586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).