5-(2,2-difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene

C11H14F2S — CID 134364769

IUPAC5-(2,2-difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene
SMILESC=c1sc(CC(C)(F)F)cc1=C(C)C
InChIInChI=1S/C11H14F2S/c1-7(2)10-5-9(14-8(10)3)6-11(4,12)13/h5H,3,6H2,1-2,4H3
InChIKeyBWXBZHBPLNFZJK-UHFFFAOYSA-N
MW216.30 g/mol
LogP2.55
Rot. Bonds2

About 5-(2,2-difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene

5-(2,2-difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene (PubChem CID 134364769) has the molecular formula C11H14F2S and a molecular weight of 216.30 g/mol. Its IUPAC name is 5-(2,2-difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene.

Molecular Properties

Compound Name5-(2,2-difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene
PubChem CID134364769
Molecular FormulaC11H14F2S
Molecular Weight216.30 g/mol
Exact Mass216.08
IUPAC Name5-(2,2-difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene
SMILESC=c1sc(CC(C)(F)F)cc1=C(C)C
InChIInChI=1S/C11H14F2S/c1-7(2)10-5-9(14-8(10)3)6-11(4,12)13/h5H,3,6H2,1-2,4H3
InChIKeyBWXBZHBPLNFZJK-UHFFFAOYSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene?
The IUPAC name of 5-(2,2-difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene (CID 134364769) is 5-(2,2-difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene.
What is the SMILES notation for 5-(2,2-difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene?
The canonical SMILES for 5-(2,2-difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene is C=c1sc(CC(C)(F)F)cc1=C(C)C.
What is the InChIKey of 5-(2,2-difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene?
The InChIKey is BWXBZHBPLNFZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2S/c1-7(2)10-5-9(14-8(10)3)6-11(4,12)13/h5H,3,6H2,1-2,4H3.
What are the key properties of 5-(2,2-difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene?
5-(2,2-difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene has a molecular weight of 216.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoropropyl)-2-methylidene-3-propan-2-ylidenethiophene is sourced from PubChem (CID 134364769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).