2-fluoro-7-propan-2-yl-7-azabicyclo[2.2.1]heptane

C9H16FN — CID 170676189

IUPAC2-fluoro-7-propan-2-yl-7-azabicyclo[2.2.1]heptane
SMILESCC(C)N1C2CCC1C(F)C2
InChIInChI=1S/C9H16FN/c1-6(2)11-7-3-4-9(11)8(10)5-7/h6-9H,3-5H2,1-2H3
InChIKeyQZXODUIVFAJLFC-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.97
Rot. Bonds1

About 2-fluoro-7-propan-2-yl-7-azabicyclo[2.2.1]heptane

2-fluoro-7-propan-2-yl-7-azabicyclo[2.2.1]heptane (PubChem CID 170676189) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 2-fluoro-7-propan-2-yl-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-fluoro-7-propan-2-yl-7-azabicyclo[2.2.1]heptane
PubChem CID170676189
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name2-fluoro-7-propan-2-yl-7-azabicyclo[2.2.1]heptane
SMILESCC(C)N1C2CCC1C(F)C2
InChIInChI=1S/C9H16FN/c1-6(2)11-7-3-4-9(11)8(10)5-7/h6-9H,3-5H2,1-2H3
InChIKeyQZXODUIVFAJLFC-UHFFFAOYSA-N
XLogP1.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-propan-2-yl-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-fluoro-7-propan-2-yl-7-azabicyclo[2.2.1]heptane (CID 170676189) is 2-fluoro-7-propan-2-yl-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-fluoro-7-propan-2-yl-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-fluoro-7-propan-2-yl-7-azabicyclo[2.2.1]heptane is CC(C)N1C2CCC1C(F)C2.
What is the InChIKey of 2-fluoro-7-propan-2-yl-7-azabicyclo[2.2.1]heptane?
The InChIKey is QZXODUIVFAJLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-6(2)11-7-3-4-9(11)8(10)5-7/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-fluoro-7-propan-2-yl-7-azabicyclo[2.2.1]heptane?
2-fluoro-7-propan-2-yl-7-azabicyclo[2.2.1]heptane has a molecular weight of 157.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-propan-2-yl-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 170676189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).