2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine

C10H16F2N2 — CID 84670674

IUPAC2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine
SMILESCC(F)(F)CCn1cccc1CCN
InChIInChI=1S/C10H16F2N2/c1-10(11,12)5-8-14-7-2-3-9(14)4-6-13/h2-3,7H,4-6,8,13H2,1H3
InChIKeyJLDJCOLWIBQQIB-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.03
Rot. Bonds5

About 2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine

2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine (PubChem CID 84670674) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine
PubChem CID84670674
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine
SMILESCC(F)(F)CCn1cccc1CCN
InChIInChI=1S/C10H16F2N2/c1-10(11,12)5-8-14-7-2-3-9(14)4-6-13/h2-3,7H,4-6,8,13H2,1H3
InChIKeyJLDJCOLWIBQQIB-UHFFFAOYSA-N
XLogP2.03
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine (CID 84670674) is 2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine is CC(F)(F)CCn1cccc1CCN.
What is the InChIKey of 2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine?
The InChIKey is JLDJCOLWIBQQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2/c1-10(11,12)5-8-14-7-2-3-9(14)4-6-13/h2-3,7H,4-6,8,13H2,1H3.
What are the key properties of 2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine?
2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine has a molecular weight of 202.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 84670674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).