2-[5,5,5-trifluoro-4-(trifluoromethylsulfonyl)penta-1,3-dienyl]furan

C10H6F6O3S — CID 123208697

IUPAC2-[5,5,5-trifluoro-4-(trifluoromethylsulfonyl)penta-1,3-dienyl]furan
SMILESO=S(=O)(C(=CC=Cc1ccco1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F6O3S/c11-9(12,13)8(20(17,18)10(14,15)16)5-1-3-7-4-2-6-19-7/h1-6H
InChIKeyYHZJDZRQRSUCRL-UHFFFAOYSA-N
MW320.21 g/mol
LogP3.67
Rot. Bonds3

About 2-[5,5,5-trifluoro-4-(trifluoromethylsulfonyl)penta-1,3-dienyl]furan

2-[5,5,5-trifluoro-4-(trifluoromethylsulfonyl)penta-1,3-dienyl]furan (PubChem CID 123208697) has the molecular formula C10H6F6O3S and a molecular weight of 320.21 g/mol. Its IUPAC name is 2-[5,5,5-trifluoro-4-(trifluoromethylsulfonyl)penta-1,3-dienyl]furan.

Molecular Properties

Compound Name2-[5,5,5-trifluoro-4-(trifluoromethylsulfonyl)penta-1,3-dienyl]furan
PubChem CID123208697
Molecular FormulaC10H6F6O3S
Molecular Weight320.21 g/mol
Exact Mass319.99
IUPAC Name2-[5,5,5-trifluoro-4-(trifluoromethylsulfonyl)penta-1,3-dienyl]furan
SMILESO=S(=O)(C(=CC=Cc1ccco1)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F6O3S/c11-9(12,13)8(20(17,18)10(14,15)16)5-1-3-7-4-2-6-19-7/h1-6H
InChIKeyYHZJDZRQRSUCRL-UHFFFAOYSA-N
XLogP3.67
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-3,3,3-trifluoro-2-(trifluoromethylsulfonyl)prop-1-enyl]furan
CID 118400675
(3E)-4-(furan-2-yl)buta-1,3-dien-1-one
CID 102270534
2-[(E)-2-fluoroethenyl]furan
CID 145208016
sodium 5-(furan-2-yl)penta-2,4-dienoate
CID 88822345
1-(4-bromophenyl)-5-(furan-2-yl)-2-methylpenta-2,4-dien-1-one
CID 4018511
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
2-nona-1,3,5,7-tetraenylfuran
CID 173428871
CID 59090942
CID 59090942
(E)-2-(furan-2-yl)ethenethiol
CID 87339498
2-[(3E)-4,8-dimethylnona-1,3,7-trienyl]furan
CID 162340732
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
(Z)-1,1,1-trifluoro-4-(furan-2-yl)-3-methylsulfanylbut-3-en-2-one
CID 10537746

Frequently Asked Questions

What is the IUPAC name of 2-[5,5,5-trifluoro-4-(trifluoromethylsulfonyl)penta-1,3-dienyl]furan?
The IUPAC name of 2-[5,5,5-trifluoro-4-(trifluoromethylsulfonyl)penta-1,3-dienyl]furan (CID 123208697) is 2-[5,5,5-trifluoro-4-(trifluoromethylsulfonyl)penta-1,3-dienyl]furan.
What is the SMILES notation for 2-[5,5,5-trifluoro-4-(trifluoromethylsulfonyl)penta-1,3-dienyl]furan?
The canonical SMILES for 2-[5,5,5-trifluoro-4-(trifluoromethylsulfonyl)penta-1,3-dienyl]furan is O=S(=O)(C(=CC=Cc1ccco1)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[5,5,5-trifluoro-4-(trifluoromethylsulfonyl)penta-1,3-dienyl]furan?
The InChIKey is YHZJDZRQRSUCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O3S/c11-9(12,13)8(20(17,18)10(14,15)16)5-1-3-7-4-2-6-19-7/h1-6H.
What are the key properties of 2-[5,5,5-trifluoro-4-(trifluoromethylsulfonyl)penta-1,3-dienyl]furan?
2-[5,5,5-trifluoro-4-(trifluoromethylsulfonyl)penta-1,3-dienyl]furan has a molecular weight of 320.21 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5,5-trifluoro-4-(trifluoromethylsulfonyl)penta-1,3-dienyl]furan is sourced from PubChem (CID 123208697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).