2-fluoro-3-(trifluoromethyl)-1H-pyrrole

C5H3F4N — CID 56980227

IUPAC2-fluoro-3-(trifluoromethyl)-1H-pyrrole
SMILESFc1[nH]ccc1C(F)(F)F
InChIInChI=1S/C5H3F4N/c6-4-3(1-2-10-4)5(7,8)9/h1-2,10H
InChIKeyBAYLFQVFNKJFAP-UHFFFAOYSA-N
MW153.08 g/mol
LogP2.17
Rot. Bonds

About 2-fluoro-3-(trifluoromethyl)-1H-pyrrole

2-fluoro-3-(trifluoromethyl)-1H-pyrrole (PubChem CID 56980227) has the molecular formula C5H3F4N and a molecular weight of 153.08 g/mol. Its IUPAC name is 2-fluoro-3-(trifluoromethyl)-1H-pyrrole.

Molecular Properties

Compound Name2-fluoro-3-(trifluoromethyl)-1H-pyrrole
PubChem CID56980227
Molecular FormulaC5H3F4N
Molecular Weight153.08 g/mol
Exact Mass153.02
IUPAC Name2-fluoro-3-(trifluoromethyl)-1H-pyrrole
SMILESFc1[nH]ccc1C(F)(F)F
InChIInChI=1S/C5H3F4N/c6-4-3(1-2-10-4)5(7,8)9/h1-2,10H
InChIKeyBAYLFQVFNKJFAP-UHFFFAOYSA-N
XLogP2.17
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.08
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Pyrrole
CID 8027
1H-Pyrrole, 3-methyl-
CID 12023
1H-pyrrole-3-carbonitrile
CID 564206
3,4-bis(trifluoromethyl)-1H-pyrrole
CID 339380
1H-Pyrrole-3-carboximidamide
CID 176662
1H-Pyrrole-1,2,3,4,5-d5
CID 16212259
1H-pyrrol-3-ylmethanamine
CID 23295846
3-Vinylpyrrole
CID 9989218
1H-Pyrrole, 3-(trifluoromethyl)-
CID 10464390
3,4-difluoro-1H-pyrrole
CID 11804690
1H-Pyrrole, 2-fluoro-
CID 11586300
3-fluoro-1H-pyrrole
CID 17958888

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(trifluoromethyl)-1H-pyrrole?
The IUPAC name of 2-fluoro-3-(trifluoromethyl)-1H-pyrrole (CID 56980227) is 2-fluoro-3-(trifluoromethyl)-1H-pyrrole.
What is the SMILES notation for 2-fluoro-3-(trifluoromethyl)-1H-pyrrole?
The canonical SMILES for 2-fluoro-3-(trifluoromethyl)-1H-pyrrole is Fc1[nH]ccc1C(F)(F)F.
What is the InChIKey of 2-fluoro-3-(trifluoromethyl)-1H-pyrrole?
The InChIKey is BAYLFQVFNKJFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F4N/c6-4-3(1-2-10-4)5(7,8)9/h1-2,10H.
What are the key properties of 2-fluoro-3-(trifluoromethyl)-1H-pyrrole?
2-fluoro-3-(trifluoromethyl)-1H-pyrrole has a molecular weight of 153.08 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(trifluoromethyl)-1H-pyrrole is sourced from PubChem (CID 56980227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).