(1S)-5-fluoro-2-methyl-2-azabicyclo[2.2.1]heptane

C7H12FN — CID 147471345

IUPAC(1S)-5-fluoro-2-methyl-2-azabicyclo[2.2.1]heptane
SMILESCN1CC2C[C@H]1CC2F
InChIInChI=1S/C7H12FN/c1-9-4-5-2-6(9)3-7(5)8/h5-7H,2-4H2,1H3/t5?,6-,7?/m0/s1
InChIKeyFBVIUOZVDXSTJF-HUDPQJTASA-N
MW129.18 g/mol
LogP1.05
Rot. Bonds

About (1S)-5-fluoro-2-methyl-2-azabicyclo[2.2.1]heptane

(1S)-5-fluoro-2-methyl-2-azabicyclo[2.2.1]heptane (PubChem CID 147471345) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (1S)-5-fluoro-2-methyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S)-5-fluoro-2-methyl-2-azabicyclo[2.2.1]heptane
PubChem CID147471345
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(1S)-5-fluoro-2-methyl-2-azabicyclo[2.2.1]heptane
SMILESCN1CC2C[C@H]1CC2F
InChIInChI=1S/C7H12FN/c1-9-4-5-2-6(9)3-7(5)8/h5-7H,2-4H2,1H3/t5?,6-,7?/m0/s1
InChIKeyFBVIUOZVDXSTJF-HUDPQJTASA-N
XLogP1.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-fluoro-2-methyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S)-5-fluoro-2-methyl-2-azabicyclo[2.2.1]heptane (CID 147471345) is (1S)-5-fluoro-2-methyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S)-5-fluoro-2-methyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S)-5-fluoro-2-methyl-2-azabicyclo[2.2.1]heptane is CN1CC2C[C@H]1CC2F.
What is the InChIKey of (1S)-5-fluoro-2-methyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is FBVIUOZVDXSTJF-HUDPQJTASA-N. The full InChI is InChI=1S/C7H12FN/c1-9-4-5-2-6(9)3-7(5)8/h5-7H,2-4H2,1H3/t5?,6-,7?/m0/s1.
What are the key properties of (1S)-5-fluoro-2-methyl-2-azabicyclo[2.2.1]heptane?
(1S)-5-fluoro-2-methyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 129.18 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-fluoro-2-methyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 147471345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).