(3R)-5-fluoro-2,3-dimethyl-2-azabicyclo[2.2.1]heptane

C8H14FN — CID 122462592

IUPAC(3R)-5-fluoro-2,3-dimethyl-2-azabicyclo[2.2.1]heptane
SMILESC[C@@H]1C2CC(CC2F)N1C
InChIInChI=1S/C8H14FN/c1-5-7-3-6(10(5)2)4-8(7)9/h5-8H,3-4H2,1-2H3/t5-,6?,7?,8?/m1/s1
InChIKeyBWWGEQZLRFCWGN-NIYQRSRNSA-N
MW143.20 g/mol
LogP1.44
Rot. Bonds

About (3R)-5-fluoro-2,3-dimethyl-2-azabicyclo[2.2.1]heptane

(3R)-5-fluoro-2,3-dimethyl-2-azabicyclo[2.2.1]heptane (PubChem CID 122462592) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (3R)-5-fluoro-2,3-dimethyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(3R)-5-fluoro-2,3-dimethyl-2-azabicyclo[2.2.1]heptane
PubChem CID122462592
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(3R)-5-fluoro-2,3-dimethyl-2-azabicyclo[2.2.1]heptane
SMILESC[C@@H]1C2CC(CC2F)N1C
InChIInChI=1S/C8H14FN/c1-5-7-3-6(10(5)2)4-8(7)9/h5-8H,3-4H2,1-2H3/t5-,6?,7?,8?/m1/s1
InChIKeyBWWGEQZLRFCWGN-NIYQRSRNSA-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 ≤ 500143.20
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-fluoro-2,3-dimethyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (3R)-5-fluoro-2,3-dimethyl-2-azabicyclo[2.2.1]heptane (CID 122462592) is (3R)-5-fluoro-2,3-dimethyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (3R)-5-fluoro-2,3-dimethyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (3R)-5-fluoro-2,3-dimethyl-2-azabicyclo[2.2.1]heptane is C[C@@H]1C2CC(CC2F)N1C.
What is the InChIKey of (3R)-5-fluoro-2,3-dimethyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is BWWGEQZLRFCWGN-NIYQRSRNSA-N. The full InChI is InChI=1S/C8H14FN/c1-5-7-3-6(10(5)2)4-8(7)9/h5-8H,3-4H2,1-2H3/t5-,6?,7?,8?/m1/s1.
What are the key properties of (3R)-5-fluoro-2,3-dimethyl-2-azabicyclo[2.2.1]heptane?
(3R)-5-fluoro-2,3-dimethyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 143.20 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 (3R)-5-fluoro-2,3-dimethyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 122462592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).