1-[(1R,2R)-2-fluorocyclopropyl]sulfonylnaphthalene

C13H11FO2S — CID 164680260

IUPAC1-[(1R,2R)-2-fluorocyclopropyl]sulfonylnaphthalene
SMILESO=S(=O)(c1cccc2ccccc12)[C@@H]1C[C@H]1F
InChIInChI=1S/C13H11FO2S/c14-11-8-13(11)17(15,16)12-7-3-5-9-4-1-2-6-10(9)12/h1-7,11,13H,8H2/t11-,13-/m1/s1
InChIKeyNRORNJKXYTUTSK-DGCLKSJQSA-N
MW250.29 g/mol
LogP2.72
Rot. Bonds2

About 1-[(1R,2R)-2-fluorocyclopropyl]sulfonylnaphthalene

1-[(1R,2R)-2-fluorocyclopropyl]sulfonylnaphthalene (PubChem CID 164680260) has the molecular formula C13H11FO2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-[(1R,2R)-2-fluorocyclopropyl]sulfonylnaphthalene.

Molecular Properties

Compound Name1-[(1R,2R)-2-fluorocyclopropyl]sulfonylnaphthalene
PubChem CID164680260
Molecular FormulaC13H11FO2S
Molecular Weight250.29 g/mol
Exact Mass250.05
IUPAC Name1-[(1R,2R)-2-fluorocyclopropyl]sulfonylnaphthalene
SMILESO=S(=O)(c1cccc2ccccc12)[C@@H]1C[C@H]1F
InChIInChI=1S/C13H11FO2S/c14-11-8-13(11)17(15,16)12-7-3-5-9-4-1-2-6-10(9)12/h1-7,11,13H,8H2/t11-,13-/m1/s1
InChIKeyNRORNJKXYTUTSK-DGCLKSJQSA-N
XLogP2.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Naphthalenesulfonic acid
CID 6812
4-(Ethylsulfonyl)-1-naphthalenesulfonamide
CID 13296
1-Naphthalenesulfonyl chloride
CID 66560
Naphthalene-1-sulfonate
CID 4224596
2-(Ethenesulfonyl)naphthalene
CID 305562
2-((4-Fluorobenzyl)sulfinyl)naphthalene
CID 141537137
1,1'-Dinaphthyl sulfone
CID 853912
1-Naphthalenesulfonic acid, ammonium salt (1:1)
CID 3015890
Naphthalene-1-sulfonyl fluoride
CID 20351916
(Naphthalen-1-yl)(diphenyl)sulfanium trifluoromethanesulfonate
CID 16217888
4-cyclopropyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide
CID 53307620
Benzene, dimethyl[(methylphenyl)sulfonyl]-
CID 169028

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-fluorocyclopropyl]sulfonylnaphthalene?
The IUPAC name of 1-[(1R,2R)-2-fluorocyclopropyl]sulfonylnaphthalene (CID 164680260) is 1-[(1R,2R)-2-fluorocyclopropyl]sulfonylnaphthalene.
What is the SMILES notation for 1-[(1R,2R)-2-fluorocyclopropyl]sulfonylnaphthalene?
The canonical SMILES for 1-[(1R,2R)-2-fluorocyclopropyl]sulfonylnaphthalene is O=S(=O)(c1cccc2ccccc12)[C@@H]1C[C@H]1F.
What is the InChIKey of 1-[(1R,2R)-2-fluorocyclopropyl]sulfonylnaphthalene?
The InChIKey is NRORNJKXYTUTSK-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H11FO2S/c14-11-8-13(11)17(15,16)12-7-3-5-9-4-1-2-6-10(9)12/h1-7,11,13H,8H2/t11-,13-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-fluorocyclopropyl]sulfonylnaphthalene?
1-[(1R,2R)-2-fluorocyclopropyl]sulfonylnaphthalene has a molecular weight of 250.29 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-fluorocyclopropyl]sulfonylnaphthalene is sourced from PubChem (CID 164680260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).