1-(fluoromethyl)pyrrole

C5H6FN — CID 14786527

IUPAC1-(fluoromethyl)pyrrole
SMILESFCn1cccc1
InChIInChI=1S/C5H6FN/c6-5-7-3-1-2-4-7/h1-4H,5H2
InChIKeyOVHCMPSDXRFZKC-UHFFFAOYSA-N
MW99.11 g/mol
LogP1.42
Rot. Bonds1

About 1-(fluoromethyl)pyrrole

1-(fluoromethyl)pyrrole (PubChem CID 14786527) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is 1-(fluoromethyl)pyrrole.

Molecular Properties

Compound Name1-(fluoromethyl)pyrrole
PubChem CID14786527
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC Name1-(fluoromethyl)pyrrole
SMILESFCn1cccc1
InChIInChI=1S/C5H6FN/c6-5-7-3-1-2-4-7/h1-4H,5H2
InChIKeyOVHCMPSDXRFZKC-UHFFFAOYSA-N
XLogP1.42
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.11
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrole
CID 8027
1-Methylpyrrole
CID 7304
1-Ethylpyrrole
CID 185226
1-(2-Hydroxyethyl)pyrrole
CID 10975438
3-(Pyrrol-1-yl)propiononitrile
CID 96527
1-Aminopyrrole
CID 136589
1-(prop-2-en-1-yl)-1H-pyrrole
CID 527525
1-(3-Bromopropyl)pyrrole
CID 557119
1-Butylpyrrole
CID 68529
1H-Pyrrole, 1-(trimethylsilyl)-
CID 87541
2-(1H-pyrrol-1-yl)ethan-1-amine
CID 2763816
Methyl 1H-pyrrole-1-carboxylate
CID 77962

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)pyrrole?
The IUPAC name of 1-(fluoromethyl)pyrrole (CID 14786527) is 1-(fluoromethyl)pyrrole.
What is the SMILES notation for 1-(fluoromethyl)pyrrole?
The canonical SMILES for 1-(fluoromethyl)pyrrole is FCn1cccc1.
What is the InChIKey of 1-(fluoromethyl)pyrrole?
The InChIKey is OVHCMPSDXRFZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN/c6-5-7-3-1-2-4-7/h1-4H,5H2.
What are the key properties of 1-(fluoromethyl)pyrrole?
1-(fluoromethyl)pyrrole has a molecular weight of 99.11 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)pyrrole is sourced from PubChem (CID 14786527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).