3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine

C7H10F2N2 — CID 116838553

IUPAC3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine
SMILESNCCC(F)(F)c1ccc[nH]1
InChIInChI=1S/C7H10F2N2/c8-7(9,3-4-10)6-2-1-5-11-6/h1-2,5,11H,3-4,10H2
InChIKeyWBLVGNGRIKCTAX-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.46
Rot. Bonds3

About 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine

3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine (PubChem CID 116838553) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine
PubChem CID116838553
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine
SMILESNCCC(F)(F)c1ccc[nH]1
InChIInChI=1S/C7H10F2N2/c8-7(9,3-4-10)6-2-1-5-11-6/h1-2,5,11H,3-4,10H2
InChIKeyWBLVGNGRIKCTAX-UHFFFAOYSA-N
XLogP1.46
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine?
The IUPAC name of 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine (CID 116838553) is 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine.
What is the SMILES notation for 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine?
The canonical SMILES for 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine is NCCC(F)(F)c1ccc[nH]1.
What is the InChIKey of 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine?
The InChIKey is WBLVGNGRIKCTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2/c8-7(9,3-4-10)6-2-1-5-11-6/h1-2,5,11H,3-4,10H2.
What are the key properties of 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine?
3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine has a molecular weight of 160.17 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine is sourced from PubChem (CID 116838553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).