(1-fluoro-2,2-diphenylcyclopropyl)sulfanylbenzene

C21H17FS — CID 14229113

IUPAC(1-fluoro-2,2-diphenylcyclopropyl)sulfanylbenzene
SMILESFC1(Sc2ccccc2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17FS/c22-21(23-19-14-8-3-9-15-19)16-20(21,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15H,16H2
InChIKeyNLCWMLQEXMRYAK-UHFFFAOYSA-N
MW320.43 g/mol
LogP5.83
Rot. Bonds4

About (1-fluoro-2,2-diphenylcyclopropyl)sulfanylbenzene

(1-fluoro-2,2-diphenylcyclopropyl)sulfanylbenzene (PubChem CID 14229113) has the molecular formula C21H17FS and a molecular weight of 320.43 g/mol. Its IUPAC name is (1-fluoro-2,2-diphenylcyclopropyl)sulfanylbenzene.

Molecular Properties

Compound Name(1-fluoro-2,2-diphenylcyclopropyl)sulfanylbenzene
PubChem CID14229113
Molecular FormulaC21H17FS
Molecular Weight320.43 g/mol
Exact Mass320.10
IUPAC Name(1-fluoro-2,2-diphenylcyclopropyl)sulfanylbenzene
SMILESFC1(Sc2ccccc2)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17FS/c22-21(23-19-14-8-3-9-15-19)16-20(21,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15H,16H2
InChIKeyNLCWMLQEXMRYAK-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-fluoro-2,2-diphenylcyclopropyl)sulfanylbenzene?
The IUPAC name of (1-fluoro-2,2-diphenylcyclopropyl)sulfanylbenzene (CID 14229113) is (1-fluoro-2,2-diphenylcyclopropyl)sulfanylbenzene.
What is the SMILES notation for (1-fluoro-2,2-diphenylcyclopropyl)sulfanylbenzene?
The canonical SMILES for (1-fluoro-2,2-diphenylcyclopropyl)sulfanylbenzene is FC1(Sc2ccccc2)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (1-fluoro-2,2-diphenylcyclopropyl)sulfanylbenzene?
The InChIKey is NLCWMLQEXMRYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FS/c22-21(23-19-14-8-3-9-15-19)16-20(21,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15H,16H2.
What are the key properties of (1-fluoro-2,2-diphenylcyclopropyl)sulfanylbenzene?
(1-fluoro-2,2-diphenylcyclopropyl)sulfanylbenzene has a molecular weight of 320.43 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-2,2-diphenylcyclopropyl)sulfanylbenzene is sourced from PubChem (CID 14229113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).