[1-(2-fluoroethyl)azepan-2-yl]methanol

C9H18FNO — CID 116637492

IUPAC[1-(2-fluoroethyl)azepan-2-yl]methanol
SMILESOCC1CCCCCN1CCF
InChIInChI=1S/C9H18FNO/c10-5-7-11-6-3-1-2-4-9(11)8-12/h9,12H,1-8H2
InChIKeyOZVWIPIBXRCPLZ-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.19
Rot. Bonds3

About [1-(2-fluoroethyl)azepan-2-yl]methanol

[1-(2-fluoroethyl)azepan-2-yl]methanol (PubChem CID 116637492) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is [1-(2-fluoroethyl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-fluoroethyl)azepan-2-yl]methanol
PubChem CID116637492
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name[1-(2-fluoroethyl)azepan-2-yl]methanol
SMILESOCC1CCCCCN1CCF
InChIInChI=1S/C9H18FNO/c10-5-7-11-6-3-1-2-4-9(11)8-12/h9,12H,1-8H2
InChIKeyOZVWIPIBXRCPLZ-UHFFFAOYSA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethyl)azepan-2-yl]methanol?
The IUPAC name of [1-(2-fluoroethyl)azepan-2-yl]methanol (CID 116637492) is [1-(2-fluoroethyl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(2-fluoroethyl)azepan-2-yl]methanol?
The canonical SMILES for [1-(2-fluoroethyl)azepan-2-yl]methanol is OCC1CCCCCN1CCF.
What is the InChIKey of [1-(2-fluoroethyl)azepan-2-yl]methanol?
The InChIKey is OZVWIPIBXRCPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c10-5-7-11-6-3-1-2-4-9(11)8-12/h9,12H,1-8H2.
What are the key properties of [1-(2-fluoroethyl)azepan-2-yl]methanol?
[1-(2-fluoroethyl)azepan-2-yl]methanol has a molecular weight of 175.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroethyl)azepan-2-yl]methanol is sourced from PubChem (CID 116637492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).