3-(1,3-dichloro-3,3-difluoropropyl)-1H-pyrrole

C7H7Cl2F2N — CID 150047183

IUPAC3-(1,3-dichloro-3,3-difluoropropyl)-1H-pyrrole
SMILESFC(F)(Cl)CC(Cl)c1cc[nH]c1
InChIInChI=1S/C7H7Cl2F2N/c8-6(3-7(9,10)11)5-1-2-12-4-5/h1-2,4,6,12H,3H2
InChIKeyDKNHWIAGWXGNLQ-UHFFFAOYSA-N
MW214.04 g/mol
LogP3.52
Rot. Bonds3

About 3-(1,3-dichloro-3,3-difluoropropyl)-1H-pyrrole

3-(1,3-dichloro-3,3-difluoropropyl)-1H-pyrrole (PubChem CID 150047183) has the molecular formula C7H7Cl2F2N and a molecular weight of 214.04 g/mol. Its IUPAC name is 3-(1,3-dichloro-3,3-difluoropropyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(1,3-dichloro-3,3-difluoropropyl)-1H-pyrrole
PubChem CID150047183
Molecular FormulaC7H7Cl2F2N
Molecular Weight214.04 g/mol
Exact Mass212.99
IUPAC Name3-(1,3-dichloro-3,3-difluoropropyl)-1H-pyrrole
SMILESFC(F)(Cl)CC(Cl)c1cc[nH]c1
InChIInChI=1S/C7H7Cl2F2N/c8-6(3-7(9,10)11)5-1-2-12-4-5/h1-2,4,6,12H,3H2
InChIKeyDKNHWIAGWXGNLQ-UHFFFAOYSA-N
XLogP3.52
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.04
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine
CID 82280266
2,2,2-trifluoro-N,N-dimethyl-1-(1H-pyrrol-3-yl)ethanamine
CID 116914360
1,1,1,5,5,5-hexafluoro-2,4-bis(1H-pyrrol-3-yl)pentan-3-one
CID 140967876
1-(1-chloro-3,3,3-trifluoropropyl)-4-fluorobenzene
CID 61083121
3,3-dimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116934629
2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine
CID 116830292
[4-fluoro-3-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanol
CID 55229452
2-(1H-pyrrol-3-yl)butanenitrile
CID 116834273
2-(1H-pyrrol-3-yl)propan-1-amine
CID 82280053
3-amino-1-(1H-pyrrol-3-yl)propan-1-ol
CID 82280085
1-(1H-pyrrol-3-yl)-3-sulfanylpropane-1,2-diol
CID 170821259
hydrazinyl(1H-pyrrol-3-yl)methanamine
CID 116947455

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dichloro-3,3-difluoropropyl)-1H-pyrrole?
The IUPAC name of 3-(1,3-dichloro-3,3-difluoropropyl)-1H-pyrrole (CID 150047183) is 3-(1,3-dichloro-3,3-difluoropropyl)-1H-pyrrole.
What is the SMILES notation for 3-(1,3-dichloro-3,3-difluoropropyl)-1H-pyrrole?
The canonical SMILES for 3-(1,3-dichloro-3,3-difluoropropyl)-1H-pyrrole is FC(F)(Cl)CC(Cl)c1cc[nH]c1.
What is the InChIKey of 3-(1,3-dichloro-3,3-difluoropropyl)-1H-pyrrole?
The InChIKey is DKNHWIAGWXGNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2F2N/c8-6(3-7(9,10)11)5-1-2-12-4-5/h1-2,4,6,12H,3H2.
What are the key properties of 3-(1,3-dichloro-3,3-difluoropropyl)-1H-pyrrole?
3-(1,3-dichloro-3,3-difluoropropyl)-1H-pyrrole has a molecular weight of 214.04 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dichloro-3,3-difluoropropyl)-1H-pyrrole is sourced from PubChem (CID 150047183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).