(1R,5S,6S,7S)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane

C8H12FN — CID 54313519

IUPAC(1R,5S,6S,7S)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
SMILESC=C1C[C@H](C)[C@@H]2[C@H](F)[C@@H]2N1
InChIInChI=1S/C8H12FN/c1-4-3-5(2)10-8-6(4)7(8)9/h4,6-8,10H,2-3H2,1H3/t4-,6+,7-,8+/m0/s1
InChIKeySMOAXIICLBVCGE-VXUIKNBNSA-N
MW141.19 g/mol
LogP1.47
Rot. Bonds

About (1R,5S,6S,7S)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane

(1R,5S,6S,7S)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane (PubChem CID 54313519) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (1R,5S,6S,7S)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,5S,6S,7S)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
PubChem CID54313519
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(1R,5S,6S,7S)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
SMILESC=C1C[C@H](C)[C@@H]2[C@H](F)[C@@H]2N1
InChIInChI=1S/C8H12FN/c1-4-3-5(2)10-8-6(4)7(8)9/h4,6-8,10H,2-3H2,1H3/t4-,6+,7-,8+/m0/s1
InChIKeySMOAXIICLBVCGE-VXUIKNBNSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,5S,6S,7S)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 54313517
(1S,5S,6R,7R)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 54313518
7-Fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 20653209
6-Methyl-4-methylidene-3-azabicyclo[4.1.0]heptane
CID 53774665
(1R,5S,6S,7S)-7-ethyl-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 53844444
(1R,5S,6S,7R)-7-ethyl-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 53844445
(1R,5S,6S,7S)-7-butyl-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 53930939
(1R,5S,6S,7R)-7-butyl-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 53930940
(1R,5S,6S,7R)-5,7-dimethyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 53939942
(1R,5S,6S,7S)-5,7-dimethyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 53939943
(1S,5S,6S)-5,7,7-trimethyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 53955141
(1R,5S,6S,7S)-5-methyl-3-methylidene-7-propyl-2-azabicyclo[4.1.0]heptane
CID 54020223

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6S,7S)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane?
The IUPAC name of (1R,5S,6S,7S)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane (CID 54313519) is (1R,5S,6S,7S)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,5S,6S,7S)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1R,5S,6S,7S)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane is C=C1C[C@H](C)[C@@H]2[C@H](F)[C@@H]2N1.
What is the InChIKey of (1R,5S,6S,7S)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane?
The InChIKey is SMOAXIICLBVCGE-VXUIKNBNSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-3-5(2)10-8-6(4)7(8)9/h4,6-8,10H,2-3H2,1H3/t4-,6+,7-,8+/m0/s1.
What are the key properties of (1R,5S,6S,7S)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane?
(1R,5S,6S,7S)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane has a molecular weight of 141.19 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6S,7S)-7-fluoro-5-methyl-3-methylidene-2-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 54313519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).