1-methoxy-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]sulfanylbenzene

C10H7F5OS — CID 131863493

IUPAC1-methoxy-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]sulfanylbenzene
SMILESCOc1ccccc1S/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C10H7F5OS/c1-16-6-4-2-3-5-7(6)17-9(12)8(11)10(13,14)15/h2-5H,1H3/b9-8-
InChIKeyAWVOJZVMKJRCRO-HJWRWDBZSA-N
MW270.22 g/mol
LogP4.46
Rot. Bonds3

About 1-methoxy-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]sulfanylbenzene

1-methoxy-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]sulfanylbenzene (PubChem CID 131863493) has the molecular formula C10H7F5OS and a molecular weight of 270.22 g/mol. Its IUPAC name is 1-methoxy-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]sulfanylbenzene.

Molecular Properties

Compound Name1-methoxy-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]sulfanylbenzene
PubChem CID131863493
Molecular FormulaC10H7F5OS
Molecular Weight270.22 g/mol
Exact Mass270.01
IUPAC Name1-methoxy-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]sulfanylbenzene
SMILESCOc1ccccc1S/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C10H7F5OS/c1-16-6-4-2-3-5-7(6)17-9(12)8(11)10(13,14)15/h2-5H,1H3/b9-8-
InChIKeyAWVOJZVMKJRCRO-HJWRWDBZSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]sulfanylbenzene?
The IUPAC name of 1-methoxy-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]sulfanylbenzene (CID 131863493) is 1-methoxy-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]sulfanylbenzene.
What is the SMILES notation for 1-methoxy-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]sulfanylbenzene?
The canonical SMILES for 1-methoxy-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]sulfanylbenzene is COc1ccccc1S/C(F)=C(\F)C(F)(F)F.
What is the InChIKey of 1-methoxy-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]sulfanylbenzene?
The InChIKey is AWVOJZVMKJRCRO-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H7F5OS/c1-16-6-4-2-3-5-7(6)17-9(12)8(11)10(13,14)15/h2-5H,1H3/b9-8-.
What are the key properties of 1-methoxy-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]sulfanylbenzene?
1-methoxy-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]sulfanylbenzene has a molecular weight of 270.22 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]sulfanylbenzene is sourced from PubChem (CID 131863493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).