1,1,1-trifluoro-2-propan-2-ylsulfanylbut-2-ene

C7H11F3S — CID 123265528

IUPAC1,1,1-trifluoro-2-propan-2-ylsulfanylbut-2-ene
SMILESCC=C(SC(C)C)C(F)(F)F
InChIInChI=1S/C7H11F3S/c1-4-6(7(8,9)10)11-5(2)3/h4-5H,1-3H3
InChIKeyCZXAMEQEBJNLRQ-UHFFFAOYSA-N
MW184.23 g/mol
LogP3.59
Rot. Bonds2

About 1,1,1-trifluoro-2-propan-2-ylsulfanylbut-2-ene

1,1,1-trifluoro-2-propan-2-ylsulfanylbut-2-ene (PubChem CID 123265528) has the molecular formula C7H11F3S and a molecular weight of 184.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-propan-2-ylsulfanylbut-2-ene.

Molecular Properties

Compound Name1,1,1-trifluoro-2-propan-2-ylsulfanylbut-2-ene
PubChem CID123265528
Molecular FormulaC7H11F3S
Molecular Weight184.23 g/mol
Exact Mass184.05
IUPAC Name1,1,1-trifluoro-2-propan-2-ylsulfanylbut-2-ene
SMILESCC=C(SC(C)C)C(F)(F)F
InChIInChI=1S/C7H11F3S/c1-4-6(7(8,9)10)11-5(2)3/h4-5H,1-3H3
InChIKeyCZXAMEQEBJNLRQ-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Ethylsulfanyl-1,1-difluoroprop-1-ene
CID 59155195
(E)-1,1,1-trifluoro-2-methyl-4-methylsulfanylbut-2-ene
CID 87187631
(E)-1,1,1-trifluoro-4-methylsulfanylbut-2-ene
CID 87187681
1,1-Difluoro-3-methylsulfanylprop-1-ene
CID 87187755
1,1,1-Trifluoro-4-prop-1-en-2-ylsulfanylbutane
CID 88875385
1,1,1-Trifluoro-2-methyl-4-methylsulfanylbut-2-ene
CID 90710876
2-Chloro-4-ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 90747408
1,1,1-Trifluoro-4-methylsulfanylbut-2-ene
CID 90781143
1,1-Difluoro-3-propylsulfanylprop-1-ene
CID 91011169
4-Ethylsulfanyl-1,1-difluorobut-1-ene
CID 91252705
4-Ethylsulfanyl-1,1,1-trifluoro-2-methylbut-2-ene
CID 91266884
4-Ethylsulfanyl-1,1,1-trifluorobut-2-ene
CID 91312736

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-propan-2-ylsulfanylbut-2-ene?
The IUPAC name of 1,1,1-trifluoro-2-propan-2-ylsulfanylbut-2-ene (CID 123265528) is 1,1,1-trifluoro-2-propan-2-ylsulfanylbut-2-ene.
What is the SMILES notation for 1,1,1-trifluoro-2-propan-2-ylsulfanylbut-2-ene?
The canonical SMILES for 1,1,1-trifluoro-2-propan-2-ylsulfanylbut-2-ene is CC=C(SC(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-propan-2-ylsulfanylbut-2-ene?
The InChIKey is CZXAMEQEBJNLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3S/c1-4-6(7(8,9)10)11-5(2)3/h4-5H,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-propan-2-ylsulfanylbut-2-ene?
1,1,1-trifluoro-2-propan-2-ylsulfanylbut-2-ene has a molecular weight of 184.23 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-propan-2-ylsulfanylbut-2-ene is sourced from PubChem (CID 123265528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).