(1aS,7bS)-6-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene

C10H9FO — CID 98080512

IUPAC(1aS,7bS)-6-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene
SMILESFc1ccc2c(c1)[C@@H]1O[C@H]1CC2
InChIInChI=1S/C10H9FO/c11-7-3-1-6-2-4-9-10(12-9)8(6)5-7/h1,3,5,9-10H,2,4H2/t9-,10-/m0/s1
InChIKeyPKNYNYAUDVVLDL-UWVGGRQHSA-N
MW164.18 g/mol
LogP2.21
Rot. Bonds

About (1aS,7bS)-6-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene

(1aS,7bS)-6-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene (PubChem CID 98080512) has the molecular formula C10H9FO and a molecular weight of 164.18 g/mol. Its IUPAC name is (1aS,7bS)-6-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene.

Molecular Properties

Compound Name(1aS,7bS)-6-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene
PubChem CID98080512
Molecular FormulaC10H9FO
Molecular Weight164.18 g/mol
Exact Mass164.06
IUPAC Name(1aS,7bS)-6-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene
SMILESFc1ccc2c(c1)[C@@H]1O[C@H]1CC2
InChIInChI=1S/C10H9FO/c11-7-3-1-6-2-4-9-10(12-9)8(6)5-7/h1,3,5,9-10H,2,4H2/t9-,10-/m0/s1
InChIKeyPKNYNYAUDVVLDL-UWVGGRQHSA-N
XLogP2.21
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(6-fluoro-2,3-dihydro-1H-inden-1-yl)methanamine
CID 82074741
N-cyclopropyl-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83907357
2-amino-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 71432297
2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine
CID 145256711
8-fluoro-2,3,3a,4,5,9b-hexahydro-1H-benzo[g]indole
CID 83877829
7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 115026714
(7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 83907571
2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)propanal
CID 105446067
2-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropanal
CID 105458981
7-fluoro-1,2,4,5-tetrahydro-3-benzoxepin-5-ol
CID 62737680
(2R,6S)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaene
CID 142248840
(1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 115057911

Frequently Asked Questions

What is the IUPAC name of (1aS,7bS)-6-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene?
The IUPAC name of (1aS,7bS)-6-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene (CID 98080512) is (1aS,7bS)-6-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene.
What is the SMILES notation for (1aS,7bS)-6-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene?
The canonical SMILES for (1aS,7bS)-6-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene is Fc1ccc2c(c1)[C@@H]1O[C@H]1CC2.
What is the InChIKey of (1aS,7bS)-6-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene?
The InChIKey is PKNYNYAUDVVLDL-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H9FO/c11-7-3-1-6-2-4-9-10(12-9)8(6)5-7/h1,3,5,9-10H,2,4H2/t9-,10-/m0/s1.
What are the key properties of (1aS,7bS)-6-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene?
(1aS,7bS)-6-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene has a molecular weight of 164.18 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1aS,7bS)-6-fluoro-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene is sourced from PubChem (CID 98080512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).