1-fluoropropan-2-yloxymethylcyclohexane

C10H19FO — CID 70474889

IUPAC1-fluoropropan-2-yloxymethylcyclohexane
SMILESCC(CF)OCC1CCCCC1
InChIInChI=1S/C10H19FO/c1-9(7-11)12-8-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3
InChIKeyQEDJSWNLEPSWPO-UHFFFAOYSA-N
MW174.26 g/mol
LogP2.94
Rot. Bonds4

About 1-fluoropropan-2-yloxymethylcyclohexane

1-fluoropropan-2-yloxymethylcyclohexane (PubChem CID 70474889) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is 1-fluoropropan-2-yloxymethylcyclohexane.

Molecular Properties

Compound Name1-fluoropropan-2-yloxymethylcyclohexane
PubChem CID70474889
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name1-fluoropropan-2-yloxymethylcyclohexane
SMILESCC(CF)OCC1CCCCC1
InChIInChI=1S/C10H19FO/c1-9(7-11)12-8-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3
InChIKeyQEDJSWNLEPSWPO-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoropropan-2-yloxymethylcyclohexane?
The IUPAC name of 1-fluoropropan-2-yloxymethylcyclohexane (CID 70474889) is 1-fluoropropan-2-yloxymethylcyclohexane.
What is the SMILES notation for 1-fluoropropan-2-yloxymethylcyclohexane?
The canonical SMILES for 1-fluoropropan-2-yloxymethylcyclohexane is CC(CF)OCC1CCCCC1.
What is the InChIKey of 1-fluoropropan-2-yloxymethylcyclohexane?
The InChIKey is QEDJSWNLEPSWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO/c1-9(7-11)12-8-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3.
What are the key properties of 1-fluoropropan-2-yloxymethylcyclohexane?
1-fluoropropan-2-yloxymethylcyclohexane has a molecular weight of 174.26 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropan-2-yloxymethylcyclohexane is sourced from PubChem (CID 70474889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).