3-fluoro-5-(1-fluoroethyl)-4-methyl-2-propyl-2H-pyrrole

C10H15F2N — CID 130239092

IUPAC3-fluoro-5-(1-fluoroethyl)-4-methyl-2-propyl-2H-pyrrole
SMILESCCCC1N=C(C(C)F)C(C)=C1F
InChIInChI=1S/C10H15F2N/c1-4-5-8-9(12)6(2)10(13-8)7(3)11/h7-8H,4-5H2,1-3H3
InChIKeyIBVKTMQBPCMJMZ-UHFFFAOYSA-N
MW187.23 g/mol
LogP3.21
Rot. Bonds3

About 3-fluoro-5-(1-fluoroethyl)-4-methyl-2-propyl-2H-pyrrole

3-fluoro-5-(1-fluoroethyl)-4-methyl-2-propyl-2H-pyrrole (PubChem CID 130239092) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is 3-fluoro-5-(1-fluoroethyl)-4-methyl-2-propyl-2H-pyrrole.

Molecular Properties

Compound Name3-fluoro-5-(1-fluoroethyl)-4-methyl-2-propyl-2H-pyrrole
PubChem CID130239092
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name3-fluoro-5-(1-fluoroethyl)-4-methyl-2-propyl-2H-pyrrole
SMILESCCCC1N=C(C(C)F)C(C)=C1F
InChIInChI=1S/C10H15F2N/c1-4-5-8-9(12)6(2)10(13-8)7(3)11/h7-8H,4-5H2,1-3H3
InChIKeyIBVKTMQBPCMJMZ-UHFFFAOYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(1-fluoroethyl)-4-methyl-2-propyl-2H-pyrrole?
The IUPAC name of 3-fluoro-5-(1-fluoroethyl)-4-methyl-2-propyl-2H-pyrrole (CID 130239092) is 3-fluoro-5-(1-fluoroethyl)-4-methyl-2-propyl-2H-pyrrole.
What is the SMILES notation for 3-fluoro-5-(1-fluoroethyl)-4-methyl-2-propyl-2H-pyrrole?
The canonical SMILES for 3-fluoro-5-(1-fluoroethyl)-4-methyl-2-propyl-2H-pyrrole is CCCC1N=C(C(C)F)C(C)=C1F.
What is the InChIKey of 3-fluoro-5-(1-fluoroethyl)-4-methyl-2-propyl-2H-pyrrole?
The InChIKey is IBVKTMQBPCMJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N/c1-4-5-8-9(12)6(2)10(13-8)7(3)11/h7-8H,4-5H2,1-3H3.
What are the key properties of 3-fluoro-5-(1-fluoroethyl)-4-methyl-2-propyl-2H-pyrrole?
3-fluoro-5-(1-fluoroethyl)-4-methyl-2-propyl-2H-pyrrole has a molecular weight of 187.23 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(1-fluoroethyl)-4-methyl-2-propyl-2H-pyrrole is sourced from PubChem (CID 130239092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).