(2S,6R)-5-ethenyl-6-fluoro-2,6-dimethyl-2-prop-1-en-2-ylbicyclo[3.1.0]hexan-1-amine

C13H20FN — CID 163774131

IUPAC(2S,6R)-5-ethenyl-6-fluoro-2,6-dimethyl-2-prop-1-en-2-ylbicyclo[3.1.0]hexan-1-amine
SMILESC=CC12CC[C@@](C)(C(=C)C)C1(N)[C@]2(C)F
InChIInChI=1S/C13H20FN/c1-6-12-8-7-10(4,9(2)3)13(12,15)11(12,5)14/h6H,1-2,7-8,15H2,3-5H3/t10-,11+,12?,13?/m0/s1
InChIKeyMIYGEMGDSUFDJN-ZFDZMSFRSA-N
MW209.31 g/mol
LogP2.97
Rot. Bonds2

About (2S,6R)-5-ethenyl-6-fluoro-2,6-dimethyl-2-prop-1-en-2-ylbicyclo[3.1.0]hexan-1-amine

(2S,6R)-5-ethenyl-6-fluoro-2,6-dimethyl-2-prop-1-en-2-ylbicyclo[3.1.0]hexan-1-amine (PubChem CID 163774131) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is (2S,6R)-5-ethenyl-6-fluoro-2,6-dimethyl-2-prop-1-en-2-ylbicyclo[3.1.0]hexan-1-amine.

Molecular Properties

Compound Name(2S,6R)-5-ethenyl-6-fluoro-2,6-dimethyl-2-prop-1-en-2-ylbicyclo[3.1.0]hexan-1-amine
PubChem CID163774131
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name(2S,6R)-5-ethenyl-6-fluoro-2,6-dimethyl-2-prop-1-en-2-ylbicyclo[3.1.0]hexan-1-amine
SMILESC=CC12CC[C@@](C)(C(=C)C)C1(N)[C@]2(C)F
InChIInChI=1S/C13H20FN/c1-6-12-8-7-10(4,9(2)3)13(12,15)11(12,5)14/h6H,1-2,7-8,15H2,3-5H3/t10-,11+,12?,13?/m0/s1
InChIKeyMIYGEMGDSUFDJN-ZFDZMSFRSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,6R)-5-ethenyl-6-fluoro-2,6-dimethyl-2-prop-1-en-2-ylbicyclo[3.1.0]hexan-1-amine with MolForge

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Related Compounds

(1S,2S,4R)-1-ethenyl-1,2,4-trimethyl-2,4-bis(prop-1-en-2-yl)cyclohexane
CID 177272316
1,1,2-trimethyl-2-prop-1-en-2-ylcyclopropane
CID 123266453
1-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
CID 155018164
(1S,2R,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane
CID 132988527
1-ethenyl-1-methyl-2,2-bis(prop-1-en-2-yl)cyclohexane
CID 173318053
(1R,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
CID 641756
ethane;(3E)-5-fluoro-6-methylhepta-1,3,5-trien-3-amine
CID 145356068
(E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene
CID 142535063
4-ethenyl-4-methyl-1-prop-1-en-2-ylcyclohexane-1-carboxylic acid
CID 143093730
4-[2-[(E)-but-2-en-2-yl]-4,4-dimethylcyclopenten-1-yl]benzenesulfonamide;ethane;2-fluorobuta-1,3-diene
CID 142959219
2-fluorobuta-1,3-diene
CID 551655
ethane;(3E)-3-fluoro-4,6-dimethylhepta-1,3,5-triene
CID 176957823

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-5-ethenyl-6-fluoro-2,6-dimethyl-2-prop-1-en-2-ylbicyclo[3.1.0]hexan-1-amine?
The IUPAC name of (2S,6R)-5-ethenyl-6-fluoro-2,6-dimethyl-2-prop-1-en-2-ylbicyclo[3.1.0]hexan-1-amine (CID 163774131) is (2S,6R)-5-ethenyl-6-fluoro-2,6-dimethyl-2-prop-1-en-2-ylbicyclo[3.1.0]hexan-1-amine.
What is the SMILES notation for (2S,6R)-5-ethenyl-6-fluoro-2,6-dimethyl-2-prop-1-en-2-ylbicyclo[3.1.0]hexan-1-amine?
The canonical SMILES for (2S,6R)-5-ethenyl-6-fluoro-2,6-dimethyl-2-prop-1-en-2-ylbicyclo[3.1.0]hexan-1-amine is C=CC12CC[C@@](C)(C(=C)C)C1(N)[C@]2(C)F.
What is the InChIKey of (2S,6R)-5-ethenyl-6-fluoro-2,6-dimethyl-2-prop-1-en-2-ylbicyclo[3.1.0]hexan-1-amine?
The InChIKey is MIYGEMGDSUFDJN-ZFDZMSFRSA-N. The full InChI is InChI=1S/C13H20FN/c1-6-12-8-7-10(4,9(2)3)13(12,15)11(12,5)14/h6H,1-2,7-8,15H2,3-5H3/t10-,11+,12?,13?/m0/s1.
What are the key properties of (2S,6R)-5-ethenyl-6-fluoro-2,6-dimethyl-2-prop-1-en-2-ylbicyclo[3.1.0]hexan-1-amine?
(2S,6R)-5-ethenyl-6-fluoro-2,6-dimethyl-2-prop-1-en-2-ylbicyclo[3.1.0]hexan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-5-ethenyl-6-fluoro-2,6-dimethyl-2-prop-1-en-2-ylbicyclo[3.1.0]hexan-1-amine is sourced from PubChem (CID 163774131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).