pentafluoro-[(E)-pent-2-en-3-yl]-λ6-sulfane

C5H9F5S — CID 143330456

IUPACpentafluoro-[(E)-pent-2-en-3-yl]-λ6-sulfane
SMILESC/C=C(\CC)S(F)(F)(F)(F)F
InChIInChI=1S/C5H9F5S/c1-3-5(4-2)11(6,7,8,9)10/h3H,4H2,1-2H3/b5-3+
InChIKeyNNOWRCNZATXONK-HWKANZROSA-N
MW196.18 g/mol
LogP4.60
Rot. Bonds2

About pentafluoro-[(E)-pent-2-en-3-yl]-λ6-sulfane

pentafluoro-[(E)-pent-2-en-3-yl]-λ6-sulfane (PubChem CID 143330456) has the molecular formula C5H9F5S and a molecular weight of 196.18 g/mol. Its IUPAC name is pentafluoro-[(E)-pent-2-en-3-yl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[(E)-pent-2-en-3-yl]-λ6-sulfane
PubChem CID143330456
Molecular FormulaC5H9F5S
Molecular Weight196.18 g/mol
Exact Mass196.03
IUPAC Namepentafluoro-[(E)-pent-2-en-3-yl]-λ6-sulfane
SMILESC/C=C(\CC)S(F)(F)(F)(F)F
InChIInChI=1S/C5H9F5S/c1-3-5(4-2)11(6,7,8,9)10/h3H,4H2,1-2H3/b5-3+
InChIKeyNNOWRCNZATXONK-HWKANZROSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

pentafluoro-[(2E,6Z)-octa-2,6-dien-3-yl]-λ6-sulfane
CID 143330422
ethane;(2E,4Z)-3-ethyl-2-fluoro-4-methylhexa-2,4-diene
CID 142079051
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
acetaldehyde;ethanol;vanadium;hydroiodide
CID 159475304
ethane;(E)-3-methylpent-2-ene
CID 144523626
3-methylpent-2-ene;zirconium
CID 174393280
(Z)-3,4-difluorohex-3-ene
CID 143535367
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
ethane;3-methylpent-2-ene;propane
CID 144514263
but-2-ene;2-methylbut-1-ene
CID 160732246
1-[(2Z,4Z)-4,5-difluorohexa-2,4-dien-3-yl]-4-propylcyclohexane
CID 143901343
(2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine
CID 90066548

Frequently Asked Questions

What is the IUPAC name of pentafluoro-[(E)-pent-2-en-3-yl]-λ6-sulfane?
The IUPAC name of pentafluoro-[(E)-pent-2-en-3-yl]-λ6-sulfane (CID 143330456) is pentafluoro-[(E)-pent-2-en-3-yl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[(E)-pent-2-en-3-yl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[(E)-pent-2-en-3-yl]-λ6-sulfane is C/C=C(\CC)S(F)(F)(F)(F)F.
What is the InChIKey of pentafluoro-[(E)-pent-2-en-3-yl]-λ6-sulfane?
The InChIKey is NNOWRCNZATXONK-HWKANZROSA-N. The full InChI is InChI=1S/C5H9F5S/c1-3-5(4-2)11(6,7,8,9)10/h3H,4H2,1-2H3/b5-3+.
What are the key properties of pentafluoro-[(E)-pent-2-en-3-yl]-λ6-sulfane?
pentafluoro-[(E)-pent-2-en-3-yl]-λ6-sulfane has a molecular weight of 196.18 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[(E)-pent-2-en-3-yl]-λ6-sulfane is sourced from PubChem (CID 143330456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).