5-(2-fluorocyclohex-2-en-1-yl)-3-methylidenethiophene

C11H13FS — CID 170191373

IUPAC5-(2-fluorocyclohex-2-en-1-yl)-3-methylidenethiophene
SMILESC=C1C=C(C2CCCC=C2F)SC1
InChIInChI=1S/C11H13FS/c1-8-6-11(13-7-8)9-4-2-3-5-10(9)12/h5-6,9H,1-4,7H2
InChIKeyKBRLSGXAKLROBK-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.83
Rot. Bonds1

About 5-(2-fluorocyclohex-2-en-1-yl)-3-methylidenethiophene

5-(2-fluorocyclohex-2-en-1-yl)-3-methylidenethiophene (PubChem CID 170191373) has the molecular formula C11H13FS and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-(2-fluorocyclohex-2-en-1-yl)-3-methylidenethiophene.

Molecular Properties

Compound Name5-(2-fluorocyclohex-2-en-1-yl)-3-methylidenethiophene
PubChem CID170191373
Molecular FormulaC11H13FS
Molecular Weight196.29 g/mol
Exact Mass196.07
IUPAC Name5-(2-fluorocyclohex-2-en-1-yl)-3-methylidenethiophene
SMILESC=C1C=C(C2CCCC=C2F)SC1
InChIInChI=1S/C11H13FS/c1-8-6-11(13-7-8)9-4-2-3-5-10(9)12/h5-6,9H,1-4,7H2
InChIKeyKBRLSGXAKLROBK-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorocyclohex-2-en-1-yl)-3-methylidenethiophene?
The IUPAC name of 5-(2-fluorocyclohex-2-en-1-yl)-3-methylidenethiophene (CID 170191373) is 5-(2-fluorocyclohex-2-en-1-yl)-3-methylidenethiophene.
What is the SMILES notation for 5-(2-fluorocyclohex-2-en-1-yl)-3-methylidenethiophene?
The canonical SMILES for 5-(2-fluorocyclohex-2-en-1-yl)-3-methylidenethiophene is C=C1C=C(C2CCCC=C2F)SC1.
What is the InChIKey of 5-(2-fluorocyclohex-2-en-1-yl)-3-methylidenethiophene?
The InChIKey is KBRLSGXAKLROBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FS/c1-8-6-11(13-7-8)9-4-2-3-5-10(9)12/h5-6,9H,1-4,7H2.
What are the key properties of 5-(2-fluorocyclohex-2-en-1-yl)-3-methylidenethiophene?
5-(2-fluorocyclohex-2-en-1-yl)-3-methylidenethiophene has a molecular weight of 196.29 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorocyclohex-2-en-1-yl)-3-methylidenethiophene is sourced from PubChem (CID 170191373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).