3-(fluoromethyl)-4-methyl-2H-pyrrole

C6H8FN — CID 161178242

IUPAC3-(fluoromethyl)-4-methyl-2H-pyrrole
SMILESCC1=C(CF)CN=C1
InChIInChI=1S/C6H8FN/c1-5-3-8-4-6(5)2-7/h3H,2,4H2,1H3
InChIKeyCMQDQLCMSBUAOV-UHFFFAOYSA-N
MW113.13 g/mol
LogP1.36
Rot. Bonds1

About 3-(fluoromethyl)-4-methyl-2H-pyrrole

3-(fluoromethyl)-4-methyl-2H-pyrrole (PubChem CID 161178242) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 3-(fluoromethyl)-4-methyl-2H-pyrrole.

Molecular Properties

Compound Name3-(fluoromethyl)-4-methyl-2H-pyrrole
PubChem CID161178242
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name3-(fluoromethyl)-4-methyl-2H-pyrrole
SMILESCC1=C(CF)CN=C1
InChIInChI=1S/C6H8FN/c1-5-3-8-4-6(5)2-7/h3H,2,4H2,1H3
InChIKeyCMQDQLCMSBUAOV-UHFFFAOYSA-N
XLogP1.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethyl-4-(trifluoromethyl)-2H-pyrrol-1-ium
CID 59580180
2-fluoro-N,3-dimethylbut-2-en-1-imine
CID 134377611
3-(difluoromethyl)-4-methyl-2H-pyrrole
CID 161178243
4-methyl-3-(trifluoromethyl)-2H-pyrrole
CID 161178244
3-fluoro-4-methyl-2H-pyrrole
CID 173508431
4-fluoro-3-methyl-2H-pyrrole
CID 143441217
(Z,Z)-N-(1-fluoroethyl)-2-methylbut-2-en-1-imine
CID 144217048
(E)-4,4,4-trifluoro-N,2,3-trimethylbut-2-en-1-imine
CID 144511164
N-ethyl-2-fluoro-3-methylbut-2-en-1-imine
CID 145502451
3,4-dimethyl-2H-pyrrole
CID 18969884
3,4-dimethyl-2H-pyrrole;ethane
CID 90846196
ethane;4-methyl-2H-pyrrole
CID 91332736

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-4-methyl-2H-pyrrole?
The IUPAC name of 3-(fluoromethyl)-4-methyl-2H-pyrrole (CID 161178242) is 3-(fluoromethyl)-4-methyl-2H-pyrrole.
What is the SMILES notation for 3-(fluoromethyl)-4-methyl-2H-pyrrole?
The canonical SMILES for 3-(fluoromethyl)-4-methyl-2H-pyrrole is CC1=C(CF)CN=C1.
What is the InChIKey of 3-(fluoromethyl)-4-methyl-2H-pyrrole?
The InChIKey is CMQDQLCMSBUAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c1-5-3-8-4-6(5)2-7/h3H,2,4H2,1H3.
What are the key properties of 3-(fluoromethyl)-4-methyl-2H-pyrrole?
3-(fluoromethyl)-4-methyl-2H-pyrrole has a molecular weight of 113.13 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-4-methyl-2H-pyrrole is sourced from PubChem (CID 161178242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).