(4R)-4-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole

C10H9F2N — CID 174673090

IUPAC(4R)-4-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(F)c([C@@H]2C=NCC2)c1
InChIInChI=1S/C10H9F2N/c11-8-1-2-10(12)9(5-8)7-3-4-13-6-7/h1-2,5-7H,3-4H2/t7-/m0/s1
InChIKeyVHLODYHXKZZYMC-ZETCQYMHSA-N
MW181.19 g/mol
LogP2.52
Rot. Bonds1

About (4R)-4-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole

(4R)-4-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 174673090) has the molecular formula C10H9F2N and a molecular weight of 181.19 g/mol. Its IUPAC name is (4R)-4-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(4R)-4-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID174673090
Molecular FormulaC10H9F2N
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(4R)-4-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(F)c([C@@H]2C=NCC2)c1
InChIInChI=1S/C10H9F2N/c11-8-1-2-10(12)9(5-8)7-3-4-13-6-7/h1-2,5-7H,3-4H2/t7-/m0/s1
InChIKeyVHLODYHXKZZYMC-ZETCQYMHSA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(2S)-2-(2,5-difluorophenyl)pyrrolidine
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3-(2,5-difluorophenyl)cyclopentan-1-one
CID 64521922
(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
CID 139526642
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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of (4R)-4-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole (CID 174673090) is (4R)-4-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (4R)-4-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (4R)-4-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole is Fc1ccc(F)c([C@@H]2C=NCC2)c1.
What is the InChIKey of (4R)-4-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is VHLODYHXKZZYMC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9F2N/c11-8-1-2-10(12)9(5-8)7-3-4-13-6-7/h1-2,5-7H,3-4H2/t7-/m0/s1.
What are the key properties of (4R)-4-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole?
(4R)-4-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 181.19 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 174673090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).