3-(difluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine

C5H8F2N2 — CID 18983424

IUPAC3-(difluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESNC1=NCC(C(F)F)C1
InChIInChI=1S/C5H8F2N2/c6-5(7)3-1-4(8)9-2-3/h3,5H,1-2H2,(H2,8,9)
InChIKeyWWQCPHRPWBYIOS-UHFFFAOYSA-N
MW134.13 g/mol
LogP0.63
Rot. Bonds1

About 3-(difluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine

3-(difluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 18983424) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 3-(difluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID18983424
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name3-(difluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESNC1=NCC(C(F)F)C1
InChIInChI=1S/C5H8F2N2/c6-5(7)3-1-4(8)9-2-3/h3,5H,1-2H2,(H2,8,9)
InChIKeyWWQCPHRPWBYIOS-UHFFFAOYSA-N
XLogP0.63
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 3-(difluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 18983424) is 3-(difluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 3-(difluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 3-(difluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine is NC1=NCC(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is WWQCPHRPWBYIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2/c6-5(7)3-1-4(8)9-2-3/h3,5H,1-2H2,(H2,8,9).
What are the key properties of 3-(difluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine?
3-(difluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 134.13 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 18983424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).