(1R,5S,6S,7S)-7-fluoro-1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine

C8H13FN2 — CID 45090632

IUPAC(1R,5S,6S,7S)-7-fluoro-1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
SMILESC[C@H]1CC(N)=N[C@]2(C)[C@H]1[C@@H]2F
InChIInChI=1S/C8H13FN2/c1-4-3-5(10)11-8(2)6(4)7(8)9/h4,6-7H,3H2,1-2H3,(H2,10,11)/t4-,6+,7-,8+/m0/s1
InChIKeySEUPTFCOZJJVLM-VXUIKNBNSA-N
MW156.20 g/mol
LogP1.11
Rot. Bonds

About (1R,5S,6S,7S)-7-fluoro-1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine

(1R,5S,6S,7S)-7-fluoro-1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine (PubChem CID 45090632) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is (1R,5S,6S,7S)-7-fluoro-1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine.

Molecular Properties

Compound Name(1R,5S,6S,7S)-7-fluoro-1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
PubChem CID45090632
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name(1R,5S,6S,7S)-7-fluoro-1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
SMILESC[C@H]1CC(N)=N[C@]2(C)[C@H]1[C@@H]2F
InChIInChI=1S/C8H13FN2/c1-4-3-5(10)11-8(2)6(4)7(8)9/h4,6-7H,3H2,1-2H3,(H2,10,11)/t4-,6+,7-,8+/m0/s1
InChIKeySEUPTFCOZJJVLM-VXUIKNBNSA-N
XLogP1.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,5S,6S,7S)-7-fluoro-1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,6S,7S)-7-fluoro-1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
The IUPAC name of (1R,5S,6S,7S)-7-fluoro-1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine (CID 45090632) is (1R,5S,6S,7S)-7-fluoro-1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine.
What is the SMILES notation for (1R,5S,6S,7S)-7-fluoro-1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
The canonical SMILES for (1R,5S,6S,7S)-7-fluoro-1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine is C[C@H]1CC(N)=N[C@]2(C)[C@H]1[C@@H]2F.
What is the InChIKey of (1R,5S,6S,7S)-7-fluoro-1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
The InChIKey is SEUPTFCOZJJVLM-VXUIKNBNSA-N. The full InChI is InChI=1S/C8H13FN2/c1-4-3-5(10)11-8(2)6(4)7(8)9/h4,6-7H,3H2,1-2H3,(H2,10,11)/t4-,6+,7-,8+/m0/s1.
What are the key properties of (1R,5S,6S,7S)-7-fluoro-1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine?
(1R,5S,6S,7S)-7-fluoro-1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine has a molecular weight of 156.20 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6S,7S)-7-fluoro-1,5-dimethyl-2-azabicyclo[4.1.0]hept-2-en-3-amine is sourced from PubChem (CID 45090632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).