2-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]thiophene

C11H11FS — CID 143881046

IUPAC2-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]thiophene
SMILESC=C(C)/C(F)=C\C(=C)c1cccs1
InChIInChI=1S/C11H11FS/c1-8(2)10(12)7-9(3)11-5-4-6-13-11/h4-7H,1,3H2,2H3/b10-7+
InChIKeyQIHIDXBRTVFSLQ-JXMROGBWSA-N
MW194.27 g/mol
LogP4.19
Rot. Bonds3

About 2-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]thiophene

2-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]thiophene (PubChem CID 143881046) has the molecular formula C11H11FS and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]thiophene.

Molecular Properties

Compound Name2-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]thiophene
PubChem CID143881046
Molecular FormulaC11H11FS
Molecular Weight194.27 g/mol
Exact Mass194.06
IUPAC Name2-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]thiophene
SMILESC=C(C)/C(F)=C\C(=C)c1cccs1
InChIInChI=1S/C11H11FS/c1-8(2)10(12)7-9(3)11-5-4-6-13-11/h4-7H,1,3H2,2H3/b10-7+
InChIKeyQIHIDXBRTVFSLQ-JXMROGBWSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 58963888
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nickel(2+);(Z)-3-[2-[[(Z)-4-oxido-4-thiophen-2-ylbut-3-en-2-ylidene]amino]ethylimino]-1-thiophen-2-ylbut-1-en-1-olate
CID 139178965
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CID 154192160
2-(1-ethylsulfanylethenyl)thiophene
CID 142318673
1-thiophen-2-ylprop-1-en-1-ol
CID 68622229
3-acetyl-1-thiophen-2-ylpent-2-ene-1,4-dione
CID 178078508
(Z)-3-amino-1-thiophen-2-ylbut-2-en-1-one
CID 59145780
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
3-methyl-2-thiophen-2-ylbut-2-enenitrile
CID 82074725
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CID 87836087

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]thiophene?
The IUPAC name of 2-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]thiophene (CID 143881046) is 2-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]thiophene.
What is the SMILES notation for 2-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]thiophene?
The canonical SMILES for 2-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]thiophene is C=C(C)/C(F)=C\C(=C)c1cccs1.
What is the InChIKey of 2-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]thiophene?
The InChIKey is QIHIDXBRTVFSLQ-JXMROGBWSA-N. The full InChI is InChI=1S/C11H11FS/c1-8(2)10(12)7-9(3)11-5-4-6-13-11/h4-7H,1,3H2,2H3/b10-7+.
What are the key properties of 2-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]thiophene?
2-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]thiophene has a molecular weight of 194.27 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]thiophene is sourced from PubChem (CID 143881046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).