4-[(2-fluorophenyl)methoxymethyl]azepane

C14H20FNO — CID 115070870

IUPAC4-[(2-fluorophenyl)methoxymethyl]azepane
SMILESFc1ccccc1COCC1CCCNCC1
InChIInChI=1S/C14H20FNO/c15-14-6-2-1-5-13(14)11-17-10-12-4-3-8-16-9-7-12/h1-2,5-6,12,16H,3-4,7-11H2
InChIKeyHEEVFYQUBVVSMJ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.73
Rot. Bonds4

About 4-[(2-fluorophenyl)methoxymethyl]azepane

4-[(2-fluorophenyl)methoxymethyl]azepane (PubChem CID 115070870) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxymethyl]azepane.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxymethyl]azepane
PubChem CID115070870
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name4-[(2-fluorophenyl)methoxymethyl]azepane
SMILESFc1ccccc1COCC1CCCNCC1
InChIInChI=1S/C14H20FNO/c15-14-6-2-1-5-13(14)11-17-10-12-4-3-8-16-9-7-12/h1-2,5-6,12,16H,3-4,7-11H2
InChIKeyHEEVFYQUBVVSMJ-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxymethyl]azepane?
The IUPAC name of 4-[(2-fluorophenyl)methoxymethyl]azepane (CID 115070870) is 4-[(2-fluorophenyl)methoxymethyl]azepane.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxymethyl]azepane?
The canonical SMILES for 4-[(2-fluorophenyl)methoxymethyl]azepane is Fc1ccccc1COCC1CCCNCC1.
What is the InChIKey of 4-[(2-fluorophenyl)methoxymethyl]azepane?
The InChIKey is HEEVFYQUBVVSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-14-6-2-1-5-13(14)11-17-10-12-4-3-8-16-9-7-12/h1-2,5-6,12,16H,3-4,7-11H2.
What are the key properties of 4-[(2-fluorophenyl)methoxymethyl]azepane?
4-[(2-fluorophenyl)methoxymethyl]azepane has a molecular weight of 237.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxymethyl]azepane is sourced from PubChem (CID 115070870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).