3-(fluoromethyl)-1,2-dimethyl-5-methylidene-2H-pyrrole

C8H12FN — CID 146290476

IUPAC3-(fluoromethyl)-1,2-dimethyl-5-methylidene-2H-pyrrole
SMILESC=C1C=C(CF)C(C)N1C
InChIInChI=1S/C8H12FN/c1-6-4-8(5-9)7(2)10(6)3/h4,7H,1,5H2,2-3H3
InChIKeyPPRDQVQGPNNQFL-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.73
Rot. Bonds1

About 3-(fluoromethyl)-1,2-dimethyl-5-methylidene-2H-pyrrole

3-(fluoromethyl)-1,2-dimethyl-5-methylidene-2H-pyrrole (PubChem CID 146290476) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 3-(fluoromethyl)-1,2-dimethyl-5-methylidene-2H-pyrrole.

Molecular Properties

Compound Name3-(fluoromethyl)-1,2-dimethyl-5-methylidene-2H-pyrrole
PubChem CID146290476
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name3-(fluoromethyl)-1,2-dimethyl-5-methylidene-2H-pyrrole
SMILESC=C1C=C(CF)C(C)N1C
InChIInChI=1S/C8H12FN/c1-6-4-8(5-9)7(2)10(6)3/h4,7H,1,5H2,2-3H3
InChIKeyPPRDQVQGPNNQFL-UHFFFAOYSA-N
XLogP1.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1,2-dimethyl-5-methylidene-2H-pyrrole?
The IUPAC name of 3-(fluoromethyl)-1,2-dimethyl-5-methylidene-2H-pyrrole (CID 146290476) is 3-(fluoromethyl)-1,2-dimethyl-5-methylidene-2H-pyrrole.
What is the SMILES notation for 3-(fluoromethyl)-1,2-dimethyl-5-methylidene-2H-pyrrole?
The canonical SMILES for 3-(fluoromethyl)-1,2-dimethyl-5-methylidene-2H-pyrrole is C=C1C=C(CF)C(C)N1C.
What is the InChIKey of 3-(fluoromethyl)-1,2-dimethyl-5-methylidene-2H-pyrrole?
The InChIKey is PPRDQVQGPNNQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-6-4-8(5-9)7(2)10(6)3/h4,7H,1,5H2,2-3H3.
What are the key properties of 3-(fluoromethyl)-1,2-dimethyl-5-methylidene-2H-pyrrole?
3-(fluoromethyl)-1,2-dimethyl-5-methylidene-2H-pyrrole has a molecular weight of 141.19 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1,2-dimethyl-5-methylidene-2H-pyrrole is sourced from PubChem (CID 146290476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).