4-(2-fluoropentan-2-yl)azepane

C11H22FN — CID 105442885

IUPAC4-(2-fluoropentan-2-yl)azepane
SMILESCCCC(C)(F)C1CCCNCC1
InChIInChI=1S/C11H22FN/c1-3-7-11(2,12)10-5-4-8-13-9-6-10/h10,13H,3-9H2,1-2H3
InChIKeyMFIJSUVNLQCPMF-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.90
Rot. Bonds3

About 4-(2-fluoropentan-2-yl)azepane

4-(2-fluoropentan-2-yl)azepane (PubChem CID 105442885) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 4-(2-fluoropentan-2-yl)azepane.

Molecular Properties

Compound Name4-(2-fluoropentan-2-yl)azepane
PubChem CID105442885
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name4-(2-fluoropentan-2-yl)azepane
SMILESCCCC(C)(F)C1CCCNCC1
InChIInChI=1S/C11H22FN/c1-3-7-11(2,12)10-5-4-8-13-9-6-10/h10,13H,3-9H2,1-2H3
InChIKeyMFIJSUVNLQCPMF-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropentan-2-yl)azepane?
The IUPAC name of 4-(2-fluoropentan-2-yl)azepane (CID 105442885) is 4-(2-fluoropentan-2-yl)azepane.
What is the SMILES notation for 4-(2-fluoropentan-2-yl)azepane?
The canonical SMILES for 4-(2-fluoropentan-2-yl)azepane is CCCC(C)(F)C1CCCNCC1.
What is the InChIKey of 4-(2-fluoropentan-2-yl)azepane?
The InChIKey is MFIJSUVNLQCPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-3-7-11(2,12)10-5-4-8-13-9-6-10/h10,13H,3-9H2,1-2H3.
What are the key properties of 4-(2-fluoropentan-2-yl)azepane?
4-(2-fluoropentan-2-yl)azepane has a molecular weight of 187.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropentan-2-yl)azepane is sourced from PubChem (CID 105442885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).