1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanylbenzene

C18H18F2S2 — CID 101499459

IUPAC1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanylbenzene
SMILESFc1ccc(S[C@@H]2CCCC[C@H]2Sc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18F2S2/c19-13-5-9-15(10-6-13)21-17-3-1-2-4-18(17)22-16-11-7-14(20)8-12-16/h5-12,17-18H,1-4H2/t17-,18-/m1/s1
InChIKeyCFSFOFHDXQDYMM-QZTJIDSGSA-N
MW336.47 g/mol
LogP6.16
Rot. Bonds4

About 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanylbenzene

1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanylbenzene (PubChem CID 101499459) has the molecular formula C18H18F2S2 and a molecular weight of 336.47 g/mol. Its IUPAC name is 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanylbenzene.

Molecular Properties

Compound Name1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanylbenzene
PubChem CID101499459
Molecular FormulaC18H18F2S2
Molecular Weight336.47 g/mol
Exact Mass336.08
IUPAC Name1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanylbenzene
SMILESFc1ccc(S[C@@H]2CCCC[C@H]2Sc2ccc(F)cc2)cc1
InChIInChI=1S/C18H18F2S2/c19-13-5-9-15(10-6-13)21-17-3-1-2-4-18(17)22-16-11-7-14(20)8-12-16/h5-12,17-18H,1-4H2/t17-,18-/m1/s1
InChIKeyCFSFOFHDXQDYMM-QZTJIDSGSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.47
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
CID 69317
Tris(phenylthio)methane
CID 615706
Sulfonium, triphenyl-, hexafluorophosphate(1-) (1:1)
CID 93819
Sulfonium, triphenyl-, (OC-6-11)-hexafluoroantimonate(1-) (1:1)
CID 93820
Sulfonium, triphenyl-, hexafluoroarsenate(1-) (1:1)
CID 93839
1-Propene, 3,3,3-Trifluoro-1,1,2-tris(phenylthio)-
CID 616198
Bis(4-fluorophenyl)sulfane
CID 11229781
4-Fluoro diphenyl sulfide
CID 11458368
1-Fluoro-2-(phenylsulfanyl)benzene
CID 13410318
Benzene, 1,2-bis(phenylthio)-
CID 76910
2-Phenylsulfanylethenylsulfanylbenzene
CID 585579
Triphenylsulfonium Tetrafluoroborate
CID 2760877

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanylbenzene?
The IUPAC name of 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanylbenzene (CID 101499459) is 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanylbenzene.
What is the SMILES notation for 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanylbenzene?
The canonical SMILES for 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanylbenzene is Fc1ccc(S[C@@H]2CCCC[C@H]2Sc2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanylbenzene?
The InChIKey is CFSFOFHDXQDYMM-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H18F2S2/c19-13-5-9-15(10-6-13)21-17-3-1-2-4-18(17)22-16-11-7-14(20)8-12-16/h5-12,17-18H,1-4H2/t17-,18-/m1/s1.
What are the key properties of 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanylbenzene?
1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanylbenzene has a molecular weight of 336.47 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]sulfanylbenzene is sourced from PubChem (CID 101499459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).