4-fluoro-1-(3-methylbutyl)azepane

C11H22FN — CID 118000407

IUPAC4-fluoro-1-(3-methylbutyl)azepane
SMILESCC(C)CCN1CCCC(F)CC1
InChIInChI=1S/C11H22FN/c1-10(2)5-8-13-7-3-4-11(12)6-9-13/h10-11H,3-9H2,1-2H3
InChIKeySQPOSLGTGCFPLW-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.86
Rot. Bonds3

About 4-fluoro-1-(3-methylbutyl)azepane

4-fluoro-1-(3-methylbutyl)azepane (PubChem CID 118000407) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 4-fluoro-1-(3-methylbutyl)azepane.

Molecular Properties

Compound Name4-fluoro-1-(3-methylbutyl)azepane
PubChem CID118000407
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name4-fluoro-1-(3-methylbutyl)azepane
SMILESCC(C)CCN1CCCC(F)CC1
InChIInChI=1S/C11H22FN/c1-10(2)5-8-13-7-3-4-11(12)6-9-13/h10-11H,3-9H2,1-2H3
InChIKeySQPOSLGTGCFPLW-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-methylbutyl)azepane?
The IUPAC name of 4-fluoro-1-(3-methylbutyl)azepane (CID 118000407) is 4-fluoro-1-(3-methylbutyl)azepane.
What is the SMILES notation for 4-fluoro-1-(3-methylbutyl)azepane?
The canonical SMILES for 4-fluoro-1-(3-methylbutyl)azepane is CC(C)CCN1CCCC(F)CC1.
What is the InChIKey of 4-fluoro-1-(3-methylbutyl)azepane?
The InChIKey is SQPOSLGTGCFPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-10(2)5-8-13-7-3-4-11(12)6-9-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-fluoro-1-(3-methylbutyl)azepane?
4-fluoro-1-(3-methylbutyl)azepane has a molecular weight of 187.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-methylbutyl)azepane is sourced from PubChem (CID 118000407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).