1,1-difluoroprop-1-en-2-ylsulfanylbenzene

C9H8F2S — CID 11194757

IUPAC1,1-difluoroprop-1-en-2-ylsulfanylbenzene
SMILESCC(Sc1ccccc1)=C(F)F
InChIInChI=1S/C9H8F2S/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyNZHJMEJQZXCIHV-UHFFFAOYSA-N
MW186.23 g/mol
LogP3.91
Rot. Bonds2

About 1,1-difluoroprop-1-en-2-ylsulfanylbenzene

1,1-difluoroprop-1-en-2-ylsulfanylbenzene (PubChem CID 11194757) has the molecular formula C9H8F2S and a molecular weight of 186.23 g/mol. Its IUPAC name is 1,1-difluoroprop-1-en-2-ylsulfanylbenzene.

Molecular Properties

Compound Name1,1-difluoroprop-1-en-2-ylsulfanylbenzene
PubChem CID11194757
Molecular FormulaC9H8F2S
Molecular Weight186.23 g/mol
Exact Mass186.03
IUPAC Name1,1-difluoroprop-1-en-2-ylsulfanylbenzene
SMILESCC(Sc1ccccc1)=C(F)F
InChIInChI=1S/C9H8F2S/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyNZHJMEJQZXCIHV-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene
CID 2755609
2-ethyl-3-phenylsulfanylbut-2-enenitrile
CID 139616080
(Z)-3,4-difluoro-4-phenylsulfanylbut-3-en-2-ol
CID 13492169
[(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene
CID 14792832
(E)-3-phenylsulfanylbut-2-enenitrile
CID 12582531
(Z)-2-phenylsulfanylbut-2-enal
CID 12617824
hydrogen peroxide;methylsulfanylbenzene
CID 87661079
phenyl N,N-dimethylcarbamodithioate
CID 11063386
[(Z)-hept-2-en-2-yl]sulfanylbenzene
CID 101384616
[(3E,5Z)-4-methylhepta-1,3,5-trien-3-yl]sulfanylbenzene
CID 167148122
S-phenyl prop-2-enethioate
CID 10940854
methyl phenylsulfanylformate
CID 10241190

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroprop-1-en-2-ylsulfanylbenzene?
The IUPAC name of 1,1-difluoroprop-1-en-2-ylsulfanylbenzene (CID 11194757) is 1,1-difluoroprop-1-en-2-ylsulfanylbenzene.
What is the SMILES notation for 1,1-difluoroprop-1-en-2-ylsulfanylbenzene?
The canonical SMILES for 1,1-difluoroprop-1-en-2-ylsulfanylbenzene is CC(Sc1ccccc1)=C(F)F.
What is the InChIKey of 1,1-difluoroprop-1-en-2-ylsulfanylbenzene?
The InChIKey is NZHJMEJQZXCIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2S/c1-7(9(10)11)12-8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 1,1-difluoroprop-1-en-2-ylsulfanylbenzene?
1,1-difluoroprop-1-en-2-ylsulfanylbenzene has a molecular weight of 186.23 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroprop-1-en-2-ylsulfanylbenzene is sourced from PubChem (CID 11194757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).