(2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole

C7H9F2N — CID 89101610

IUPAC(2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole
SMILESCC1=C[C@@H](C)N=C1C(F)F
InChIInChI=1S/C7H9F2N/c1-4-3-5(2)10-6(4)7(8)9/h3,5,7H,1-2H3/t5-/m1/s1
InChIKeyGLHRHZFITQVKFW-RXMQYKEDSA-N
MW145.15 g/mol
LogP2.04
Rot. Bonds1

About (2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole

(2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole (PubChem CID 89101610) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is (2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole.

Molecular Properties

Compound Name(2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole
PubChem CID89101610
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name(2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole
SMILESCC1=C[C@@H](C)N=C1C(F)F
InChIInChI=1S/C7H9F2N/c1-4-3-5(2)10-6(4)7(8)9/h3,5,7H,1-2H3/t5-/m1/s1
InChIKeyGLHRHZFITQVKFW-RXMQYKEDSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole
CID 58326592
4-propan-2-yl-5-(trifluoromethyl)-2H-pyrrole
CID 118188276
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine
CID 123185746
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
4-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123506679
2-methyl-3-(trifluoromethyl)-2H-pyrrole
CID 123603361
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234
(E)-N-methyl-4-(trifluoromethyl)hex-3-en-2-imine
CID 123923109
(E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine
CID 123999875
2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole
CID 138509508

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole?
The IUPAC name of (2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole (CID 89101610) is (2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole.
What is the SMILES notation for (2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole?
The canonical SMILES for (2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole is CC1=C[C@@H](C)N=C1C(F)F.
What is the InChIKey of (2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole?
The InChIKey is GLHRHZFITQVKFW-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9F2N/c1-4-3-5(2)10-6(4)7(8)9/h3,5,7H,1-2H3/t5-/m1/s1.
What are the key properties of (2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole?
(2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole has a molecular weight of 145.15 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole is sourced from PubChem (CID 89101610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).