1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)pyrrole

C9H12F3N — CID 18940148

IUPAC1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)pyrrole
SMILESC=C1N(C)C(C(F)(F)F)=CC1(C)C
InChIInChI=1S/C9H12F3N/c1-6-8(2,3)5-7(13(6)4)9(10,11)12/h5H,1H2,2-4H3
InChIKeyACRWSIYNAFXWKY-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.92
Rot. Bonds

About 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)pyrrole

1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)pyrrole (PubChem CID 18940148) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)pyrrole.

Molecular Properties

Compound Name1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)pyrrole
PubChem CID18940148
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)pyrrole
SMILESC=C1N(C)C(C(F)(F)F)=CC1(C)C
InChIInChI=1S/C9H12F3N/c1-6-8(2,3)5-7(13(6)4)9(10,11)12/h5H,1H2,2-4H3
InChIKeyACRWSIYNAFXWKY-UHFFFAOYSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)pyrrole?
The IUPAC name of 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)pyrrole (CID 18940148) is 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)pyrrole.
What is the SMILES notation for 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)pyrrole?
The canonical SMILES for 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)pyrrole is C=C1N(C)C(C(F)(F)F)=CC1(C)C.
What is the InChIKey of 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)pyrrole?
The InChIKey is ACRWSIYNAFXWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N/c1-6-8(2,3)5-7(13(6)4)9(10,11)12/h5H,1H2,2-4H3.
What are the key properties of 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)pyrrole?
1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)pyrrole has a molecular weight of 191.20 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)pyrrole is sourced from PubChem (CID 18940148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).