1-fluoro-2-methoxycyclohexane

C7H13FO — CID 12700788

IUPAC1-fluoro-2-methoxycyclohexane
SMILESCOC1CCCCC1F
InChIInChI=1S/C7H13FO/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3
InChIKeyZVARKDFRCWVEBF-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.91
Rot. Bonds1

About 1-fluoro-2-methoxycyclohexane

1-fluoro-2-methoxycyclohexane (PubChem CID 12700788) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 1-fluoro-2-methoxycyclohexane.

Molecular Properties

Compound Name1-fluoro-2-methoxycyclohexane
PubChem CID12700788
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name1-fluoro-2-methoxycyclohexane
SMILESCOC1CCCCC1F
InChIInChI=1S/C7H13FO/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3
InChIKeyZVARKDFRCWVEBF-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methoxycyclohexane?
The IUPAC name of 1-fluoro-2-methoxycyclohexane (CID 12700788) is 1-fluoro-2-methoxycyclohexane.
What is the SMILES notation for 1-fluoro-2-methoxycyclohexane?
The canonical SMILES for 1-fluoro-2-methoxycyclohexane is COC1CCCCC1F.
What is the InChIKey of 1-fluoro-2-methoxycyclohexane?
The InChIKey is ZVARKDFRCWVEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3.
What are the key properties of 1-fluoro-2-methoxycyclohexane?
1-fluoro-2-methoxycyclohexane has a molecular weight of 132.18 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methoxycyclohexane is sourced from PubChem (CID 12700788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).