3,3-difluoro-2,4,5-trimethyl-1,2-dihydropyrrole

C7H11F2N — CID 170327337

IUPAC3,3-difluoro-2,4,5-trimethyl-1,2-dihydropyrrole
SMILESCC1=C(C)C(F)(F)C(C)N1
InChIInChI=1S/C7H11F2N/c1-4-5(2)10-6(3)7(4,8)9/h6,10H,1-3H3
InChIKeySLYFUODPDXRAIP-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.91
Rot. Bonds

About 3,3-difluoro-2,4,5-trimethyl-1,2-dihydropyrrole

3,3-difluoro-2,4,5-trimethyl-1,2-dihydropyrrole (PubChem CID 170327337) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 3,3-difluoro-2,4,5-trimethyl-1,2-dihydropyrrole.

Molecular Properties

Compound Name3,3-difluoro-2,4,5-trimethyl-1,2-dihydropyrrole
PubChem CID170327337
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name3,3-difluoro-2,4,5-trimethyl-1,2-dihydropyrrole
SMILESCC1=C(C)C(F)(F)C(C)N1
InChIInChI=1S/C7H11F2N/c1-4-5(2)10-6(3)7(4,8)9/h6,10H,1-3H3
InChIKeySLYFUODPDXRAIP-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,4,5-trimethyl-1,2-dihydropyrrole?
The IUPAC name of 3,3-difluoro-2,4,5-trimethyl-1,2-dihydropyrrole (CID 170327337) is 3,3-difluoro-2,4,5-trimethyl-1,2-dihydropyrrole.
What is the SMILES notation for 3,3-difluoro-2,4,5-trimethyl-1,2-dihydropyrrole?
The canonical SMILES for 3,3-difluoro-2,4,5-trimethyl-1,2-dihydropyrrole is CC1=C(C)C(F)(F)C(C)N1.
What is the InChIKey of 3,3-difluoro-2,4,5-trimethyl-1,2-dihydropyrrole?
The InChIKey is SLYFUODPDXRAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-4-5(2)10-6(3)7(4,8)9/h6,10H,1-3H3.
What are the key properties of 3,3-difluoro-2,4,5-trimethyl-1,2-dihydropyrrole?
3,3-difluoro-2,4,5-trimethyl-1,2-dihydropyrrole has a molecular weight of 147.17 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,4,5-trimethyl-1,2-dihydropyrrole is sourced from PubChem (CID 170327337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).