2-fluoro-1-methylpyrrole

C5H6FN — CID 14322399

IUPAC2-fluoro-1-methylpyrrole
SMILESCn1cccc1F
InChIInChI=1S/C5H6FN/c1-7-4-2-3-5(7)6/h2-4H,1H3
InChIKeyNSQAKTAUFIVOQC-UHFFFAOYSA-N
MW99.11 g/mol
LogP1.16
Rot. Bonds

About 2-fluoro-1-methylpyrrole

2-fluoro-1-methylpyrrole (PubChem CID 14322399) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is 2-fluoro-1-methylpyrrole.

Molecular Properties

Compound Name2-fluoro-1-methylpyrrole
PubChem CID14322399
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC Name2-fluoro-1-methylpyrrole
SMILESCn1cccc1F
InChIInChI=1S/C5H6FN/c1-7-4-2-3-5(7)6/h2-4H,1H3
InChIKeyNSQAKTAUFIVOQC-UHFFFAOYSA-N
XLogP1.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.11
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methylpyrrole
CID 7304
1-Ethylpyrrole
CID 185226
3-(Pyrrol-1-yl)propiononitrile
CID 96527
1-Aminopyrrole
CID 136589
N-Triisopropylsilylpyrrole
CID 145136
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
1-(Dimethylamino)pyrrole
CID 573527

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methylpyrrole?
The IUPAC name of 2-fluoro-1-methylpyrrole (CID 14322399) is 2-fluoro-1-methylpyrrole.
What is the SMILES notation for 2-fluoro-1-methylpyrrole?
The canonical SMILES for 2-fluoro-1-methylpyrrole is Cn1cccc1F.
What is the InChIKey of 2-fluoro-1-methylpyrrole?
The InChIKey is NSQAKTAUFIVOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN/c1-7-4-2-3-5(7)6/h2-4H,1H3.
What are the key properties of 2-fluoro-1-methylpyrrole?
2-fluoro-1-methylpyrrole has a molecular weight of 99.11 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methylpyrrole is sourced from PubChem (CID 14322399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).