(1S,4R,5S,6S)-5-fluoro-6-methylsulfanylbicyclo[2.2.1]hept-2-ene

C8H11FS — CID 15131266

IUPAC(1S,4R,5S,6S)-5-fluoro-6-methylsulfanylbicyclo[2.2.1]hept-2-ene
SMILESCS[C@@H]1[C@@H](F)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C8H11FS/c1-10-8-6-3-2-5(4-6)7(8)9/h2-3,5-8H,4H2,1H3/t5-,6+,7-,8-/m0/s1
InChIKeyKFXURMLCXIKZNU-YWIQKCBGSA-N
MW158.24 g/mol
LogP2.26
Rot. Bonds1

About (1S,4R,5S,6S)-5-fluoro-6-methylsulfanylbicyclo[2.2.1]hept-2-ene

(1S,4R,5S,6S)-5-fluoro-6-methylsulfanylbicyclo[2.2.1]hept-2-ene (PubChem CID 15131266) has the molecular formula C8H11FS and a molecular weight of 158.24 g/mol. Its IUPAC name is (1S,4R,5S,6S)-5-fluoro-6-methylsulfanylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1S,4R,5S,6S)-5-fluoro-6-methylsulfanylbicyclo[2.2.1]hept-2-ene
PubChem CID15131266
Molecular FormulaC8H11FS
Molecular Weight158.24 g/mol
Exact Mass158.06
IUPAC Name(1S,4R,5S,6S)-5-fluoro-6-methylsulfanylbicyclo[2.2.1]hept-2-ene
SMILESCS[C@@H]1[C@@H](F)[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C8H11FS/c1-10-8-6-3-2-5(4-6)7(8)9/h2-3,5-8H,4H2,1H3/t5-,6+,7-,8-/m0/s1
InChIKeyKFXURMLCXIKZNU-YWIQKCBGSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Fluoro-6-methylsulfanylbicyclo[2.2.1]hept-2-ene
CID 72745753
5-Fluoro-6-methylsulfonylbicyclo[2.2.1]hept-2-ene
CID 139978473
5-(Butylthio)-2-norbornene
CID 129809750
5-Ethylsulfanylbicyclo[2.2.1]hept-2-ene
CID 21426231
(5S,6S)-5,6-dimethyl-7-(tritiomethylsulfanyl)bicyclo[2.2.1]hept-2-ene
CID 59107268
5-Methylsulfanylbicyclo[2.2.1]hept-2-ene
CID 67388504
5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene
CID 90900577
2-Bicyclo[2.2.1]hept-5-enyl(trimethyl)-lambda4-sulfane
CID 126669398
2-Bicyclo[2.2.1]hept-5-enyl(triethyl)-lambda4-sulfane
CID 135209846
2-Bicyclo[2.2.1]hept-5-enyl(trimethyl)-lambda4-sulfane;ethane
CID 143703726
2-Bicyclo[2.2.1]hept-5-enyl-dichloro-methyl-lambda4-sulfane
CID 146276304
2-Bicyclo[2.2.1]hept-5-enyl-dimethyl-propan-2-yl-lambda4-sulfane
CID 156571532

Frequently Asked Questions

What is the IUPAC name of (1S,4R,5S,6S)-5-fluoro-6-methylsulfanylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1S,4R,5S,6S)-5-fluoro-6-methylsulfanylbicyclo[2.2.1]hept-2-ene (CID 15131266) is (1S,4R,5S,6S)-5-fluoro-6-methylsulfanylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1S,4R,5S,6S)-5-fluoro-6-methylsulfanylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1S,4R,5S,6S)-5-fluoro-6-methylsulfanylbicyclo[2.2.1]hept-2-ene is CS[C@@H]1[C@@H](F)[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (1S,4R,5S,6S)-5-fluoro-6-methylsulfanylbicyclo[2.2.1]hept-2-ene?
The InChIKey is KFXURMLCXIKZNU-YWIQKCBGSA-N. The full InChI is InChI=1S/C8H11FS/c1-10-8-6-3-2-5(4-6)7(8)9/h2-3,5-8H,4H2,1H3/t5-,6+,7-,8-/m0/s1.
What are the key properties of (1S,4R,5S,6S)-5-fluoro-6-methylsulfanylbicyclo[2.2.1]hept-2-ene?
(1S,4R,5S,6S)-5-fluoro-6-methylsulfanylbicyclo[2.2.1]hept-2-ene has a molecular weight of 158.24 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,5S,6S)-5-fluoro-6-methylsulfanylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 15131266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).