(5E)-5-(4-fluorocyclohexa-2,4-dien-1-ylidene)-2H-thiophene

C10H9FS — CID 91927670

IUPAC(5E)-5-(4-fluorocyclohexa-2,4-dien-1-ylidene)-2H-thiophene
SMILESFC1=CC/C(=C2/C=CCS2)C=C1
InChIInChI=1S/C10H9FS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-3,5-6H,4,7H2/b10-8-
InChIKeyQATVDTNKNMMEEN-NTMALXAHSA-N
MW180.25 g/mol
LogP3.36
Rot. Bonds

About (5E)-5-(4-fluorocyclohexa-2,4-dien-1-ylidene)-2H-thiophene

(5E)-5-(4-fluorocyclohexa-2,4-dien-1-ylidene)-2H-thiophene (PubChem CID 91927670) has the molecular formula C10H9FS and a molecular weight of 180.25 g/mol. Its IUPAC name is (5E)-5-(4-fluorocyclohexa-2,4-dien-1-ylidene)-2H-thiophene.

Molecular Properties

Compound Name(5E)-5-(4-fluorocyclohexa-2,4-dien-1-ylidene)-2H-thiophene
PubChem CID91927670
Molecular FormulaC10H9FS
Molecular Weight180.25 g/mol
Exact Mass180.04
IUPAC Name(5E)-5-(4-fluorocyclohexa-2,4-dien-1-ylidene)-2H-thiophene
SMILESFC1=CC/C(=C2/C=CCS2)C=C1
InChIInChI=1S/C10H9FS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-3,5-6H,4,7H2/b10-8-
InChIKeyQATVDTNKNMMEEN-NTMALXAHSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(4-fluorocyclohexa-2,4-dien-1-ylidene)-2H-thiophene?
The IUPAC name of (5E)-5-(4-fluorocyclohexa-2,4-dien-1-ylidene)-2H-thiophene (CID 91927670) is (5E)-5-(4-fluorocyclohexa-2,4-dien-1-ylidene)-2H-thiophene.
What is the SMILES notation for (5E)-5-(4-fluorocyclohexa-2,4-dien-1-ylidene)-2H-thiophene?
The canonical SMILES for (5E)-5-(4-fluorocyclohexa-2,4-dien-1-ylidene)-2H-thiophene is FC1=CC/C(=C2/C=CCS2)C=C1.
What is the InChIKey of (5E)-5-(4-fluorocyclohexa-2,4-dien-1-ylidene)-2H-thiophene?
The InChIKey is QATVDTNKNMMEEN-NTMALXAHSA-N. The full InChI is InChI=1S/C10H9FS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-3,5-6H,4,7H2/b10-8-.
What are the key properties of (5E)-5-(4-fluorocyclohexa-2,4-dien-1-ylidene)-2H-thiophene?
(5E)-5-(4-fluorocyclohexa-2,4-dien-1-ylidene)-2H-thiophene has a molecular weight of 180.25 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(4-fluorocyclohexa-2,4-dien-1-ylidene)-2H-thiophene is sourced from PubChem (CID 91927670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).