6-fluoro-1-propan-2-yl-2,3-dihydroazepine

C9H14FN — CID 166157493

IUPAC6-fluoro-1-propan-2-yl-2,3-dihydroazepine
SMILESCC(C)N1C=C(F)C=CCC1
InChIInChI=1S/C9H14FN/c1-8(2)11-6-4-3-5-9(10)7-11/h3,5,7-8H,4,6H2,1-2H3
InChIKeyMAHHIFTUHOVXDX-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.47
Rot. Bonds1

About 6-fluoro-1-propan-2-yl-2,3-dihydroazepine

6-fluoro-1-propan-2-yl-2,3-dihydroazepine (PubChem CID 166157493) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 6-fluoro-1-propan-2-yl-2,3-dihydroazepine.

Molecular Properties

Compound Name6-fluoro-1-propan-2-yl-2,3-dihydroazepine
PubChem CID166157493
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name6-fluoro-1-propan-2-yl-2,3-dihydroazepine
SMILESCC(C)N1C=C(F)C=CCC1
InChIInChI=1S/C9H14FN/c1-8(2)11-6-4-3-5-9(10)7-11/h3,5,7-8H,4,6H2,1-2H3
InChIKeyMAHHIFTUHOVXDX-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-propan-2-yl-2,3-dihydroazepine?
The IUPAC name of 6-fluoro-1-propan-2-yl-2,3-dihydroazepine (CID 166157493) is 6-fluoro-1-propan-2-yl-2,3-dihydroazepine.
What is the SMILES notation for 6-fluoro-1-propan-2-yl-2,3-dihydroazepine?
The canonical SMILES for 6-fluoro-1-propan-2-yl-2,3-dihydroazepine is CC(C)N1C=C(F)C=CCC1.
What is the InChIKey of 6-fluoro-1-propan-2-yl-2,3-dihydroazepine?
The InChIKey is MAHHIFTUHOVXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-8(2)11-6-4-3-5-9(10)7-11/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 6-fluoro-1-propan-2-yl-2,3-dihydroazepine?
6-fluoro-1-propan-2-yl-2,3-dihydroazepine has a molecular weight of 155.22 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-propan-2-yl-2,3-dihydroazepine is sourced from PubChem (CID 166157493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).