(3R)-4-fluoro-2,3-dimethyl-3H-pyrrole

C6H8FN — CID 174038258

IUPAC(3R)-4-fluoro-2,3-dimethyl-3H-pyrrole
SMILESCC1=NC=C(F)[C@@H]1C
InChIInChI=1S/C6H8FN/c1-4-5(2)8-3-6(4)7/h3-4H,1-2H3/t4-/m1/s1
InChIKeySTYCTRDSHPCZOM-SCSAIBSYSA-N
MW113.13 g/mol
LogP1.91
Rot. Bonds

About (3R)-4-fluoro-2,3-dimethyl-3H-pyrrole

(3R)-4-fluoro-2,3-dimethyl-3H-pyrrole (PubChem CID 174038258) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is (3R)-4-fluoro-2,3-dimethyl-3H-pyrrole.

Molecular Properties

Compound Name(3R)-4-fluoro-2,3-dimethyl-3H-pyrrole
PubChem CID174038258
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name(3R)-4-fluoro-2,3-dimethyl-3H-pyrrole
SMILESCC1=NC=C(F)[C@@H]1C
InChIInChI=1S/C6H8FN/c1-4-5(2)8-3-6(4)7/h3-4H,1-2H3/t4-/m1/s1
InChIKeySTYCTRDSHPCZOM-SCSAIBSYSA-N
XLogP1.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-fluoro-2,3-dimethyl-3H-pyrrole?
The IUPAC name of (3R)-4-fluoro-2,3-dimethyl-3H-pyrrole (CID 174038258) is (3R)-4-fluoro-2,3-dimethyl-3H-pyrrole.
What is the SMILES notation for (3R)-4-fluoro-2,3-dimethyl-3H-pyrrole?
The canonical SMILES for (3R)-4-fluoro-2,3-dimethyl-3H-pyrrole is CC1=NC=C(F)[C@@H]1C.
What is the InChIKey of (3R)-4-fluoro-2,3-dimethyl-3H-pyrrole?
The InChIKey is STYCTRDSHPCZOM-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8FN/c1-4-5(2)8-3-6(4)7/h3-4H,1-2H3/t4-/m1/s1.
What are the key properties of (3R)-4-fluoro-2,3-dimethyl-3H-pyrrole?
(3R)-4-fluoro-2,3-dimethyl-3H-pyrrole has a molecular weight of 113.13 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-fluoro-2,3-dimethyl-3H-pyrrole is sourced from PubChem (CID 174038258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).