2-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]furan

C8H4F6O3S — CID 118400675

IUPAC2-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]furan
SMILESO=S(=O)(/C(=C\c1ccco1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F6O3S/c9-7(10,11)6(4-5-2-1-3-17-5)18(15,16)8(12,13)14/h1-4H/b6-4-
InChIKeyHHUBTDZKSJJTAQ-XQRVVYSFSA-N
MW294.17 g/mol
LogP3.12
Rot. Bonds2

About 2-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]furan

2-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]furan (PubChem CID 118400675) has the molecular formula C8H4F6O3S and a molecular weight of 294.17 g/mol. Its IUPAC name is 2-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]furan.

Molecular Properties

Compound Name2-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]furan
PubChem CID118400675
Molecular FormulaC8H4F6O3S
Molecular Weight294.17 g/mol
Exact Mass293.98
IUPAC Name2-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]furan
SMILESO=S(=O)(/C(=C\c1ccco1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F6O3S/c9-7(10,11)6(4-5-2-1-3-17-5)18(15,16)8(12,13)14/h1-4H/b6-4-
InChIKeyHHUBTDZKSJJTAQ-XQRVVYSFSA-N
XLogP3.12
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5,5,5-trifluoro-4-(trifluoromethylsulfonyl)penta-1,3-dienyl]furan
CID 123208697
2-[(E)-2-bromo-2-fluoroethenyl]furan
CID 119081936
(Z)-1,1,1-trifluoro-4-(furan-2-yl)-3-methylsulfanylbut-3-en-2-one
CID 10537746
(Z)-2-bromo-3-(furan-2-yl)prop-2-enal
CID 14939228
furan-2-carbaldehyde
CID 76972982
(Z)-3-(furan-2-yl)-2-methoxyprop-2-enal
CID 102492012
(2E)-2-(furan-2-ylmethylidene)butanal
CID 6435826
(2E)-2-(furan-2-ylmethylidene)-3-methylbutanal
CID 82111259
(2Z)-2-(furan-2-ylmethylidene)-3-oxobutanoic acid
CID 18595236
CID 175710332
CID 175710332
furan-2-carbaldehyde;nickel
CID 174724529
azane;furan-2-carbaldehyde
CID 19372392

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]furan?
The IUPAC name of 2-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]furan (CID 118400675) is 2-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]furan.
What is the SMILES notation for 2-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]furan?
The canonical SMILES for 2-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]furan is O=S(=O)(/C(=C\c1ccco1)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]furan?
The InChIKey is HHUBTDZKSJJTAQ-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H4F6O3S/c9-7(10,11)6(4-5-2-1-3-17-5)18(15,16)8(12,13)14/h1-4H/b6-4-.
What are the key properties of 2-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]furan?
2-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]furan has a molecular weight of 294.17 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]furan is sourced from PubChem (CID 118400675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).