(1S,4S)-5-fluoro-2,5-dimethyl-2-azabicyclo[2.2.1]heptane

C8H14FN — CID 170151638

IUPAC(1S,4S)-5-fluoro-2,5-dimethyl-2-azabicyclo[2.2.1]heptane
SMILESCN1C[C@@H]2C[C@H]1CC2(C)F
InChIInChI=1S/C8H14FN/c1-8(9)4-7-3-6(8)5-10(7)2/h6-7H,3-5H2,1-2H3/t6-,7-,8?/m0/s1
InChIKeyIABWEZNANKMHDE-WPZUCAASSA-N
MW143.21 g/mol
LogP1.44
Rot. Bonds

About (1S,4S)-5-fluoro-2,5-dimethyl-2-azabicyclo[2.2.1]heptane

(1S,4S)-5-fluoro-2,5-dimethyl-2-azabicyclo[2.2.1]heptane (PubChem CID 170151638) has the molecular formula C8H14FN and a molecular weight of 143.21 g/mol. Its IUPAC name is (1S,4S)-5-fluoro-2,5-dimethyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-5-fluoro-2,5-dimethyl-2-azabicyclo[2.2.1]heptane
PubChem CID170151638
Molecular FormulaC8H14FN
Molecular Weight143.21 g/mol
Exact Mass143.11
IUPAC Name(1S,4S)-5-fluoro-2,5-dimethyl-2-azabicyclo[2.2.1]heptane
SMILESCN1C[C@@H]2C[C@H]1CC2(C)F
InChIInChI=1S/C8H14FN/c1-8(9)4-7-3-6(8)5-10(7)2/h6-7H,3-5H2,1-2H3/t6-,7-,8?/m0/s1
InChIKeyIABWEZNANKMHDE-WPZUCAASSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 147738297
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CID 159707666
(1R)-1-fluoro-2-iodo-1-methylcyclopropane
CID 131968252
CID 173495629
CID 173495629
(2S)-4-fluoro-1,2,4-trimethylpyrrolidine
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(1S)-5-fluoro-2-methyl-2-azabicyclo[2.2.1]heptane
CID 147471345
(3S,4S)-4-fluoro-1,4-dimethylpyrrolidin-3-ol
CID 122450703
ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol
CID 177317918
(1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 147184250
1,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 58944885
2-tert-butyl-6-fluoro-6-methyl-2-azabicyclo[2.2.1]heptane
CID 157087573
4,6-dimethyl-2-azatricyclo[5.2.1.02,6]decane
CID 57319846

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-5-fluoro-2,5-dimethyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-5-fluoro-2,5-dimethyl-2-azabicyclo[2.2.1]heptane (CID 170151638) is (1S,4S)-5-fluoro-2,5-dimethyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-5-fluoro-2,5-dimethyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-5-fluoro-2,5-dimethyl-2-azabicyclo[2.2.1]heptane is CN1C[C@@H]2C[C@H]1CC2(C)F.
What is the InChIKey of (1S,4S)-5-fluoro-2,5-dimethyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is IABWEZNANKMHDE-WPZUCAASSA-N. The full InChI is InChI=1S/C8H14FN/c1-8(9)4-7-3-6(8)5-10(7)2/h6-7H,3-5H2,1-2H3/t6-,7-,8?/m0/s1.
What are the key properties of (1S,4S)-5-fluoro-2,5-dimethyl-2-azabicyclo[2.2.1]heptane?
(1S,4S)-5-fluoro-2,5-dimethyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 143.21 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-5-fluoro-2,5-dimethyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 170151638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).