1-[1-(difluoromethyl)pyrrol-3-yl]propan-2-amine

C8H12F2N2 — CID 66398425

IUPAC1-[1-(difluoromethyl)pyrrol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(C(F)F)c1
InChIInChI=1S/C8H12F2N2/c1-6(11)4-7-2-3-12(5-7)8(9)10/h2-3,5-6,8H,4,11H2,1H3
InChIKeyADODQZJHDHNBQL-UHFFFAOYSA-N
MW174.19 g/mol
LogP1.77
Rot. Bonds3

About 1-[1-(difluoromethyl)pyrrol-3-yl]propan-2-amine

1-[1-(difluoromethyl)pyrrol-3-yl]propan-2-amine (PubChem CID 66398425) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)pyrrol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)pyrrol-3-yl]propan-2-amine
PubChem CID66398425
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name1-[1-(difluoromethyl)pyrrol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(C(F)F)c1
InChIInChI=1S/C8H12F2N2/c1-6(11)4-7-2-3-12(5-7)8(9)10/h2-3,5-6,8H,4,11H2,1H3
InChIKeyADODQZJHDHNBQL-UHFFFAOYSA-N
XLogP1.77
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)pyrrol-3-yl]propan-2-amine?
The IUPAC name of 1-[1-(difluoromethyl)pyrrol-3-yl]propan-2-amine (CID 66398425) is 1-[1-(difluoromethyl)pyrrol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(difluoromethyl)pyrrol-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-(difluoromethyl)pyrrol-3-yl]propan-2-amine is CC(N)Cc1ccn(C(F)F)c1.
What is the InChIKey of 1-[1-(difluoromethyl)pyrrol-3-yl]propan-2-amine?
The InChIKey is ADODQZJHDHNBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c1-6(11)4-7-2-3-12(5-7)8(9)10/h2-3,5-6,8H,4,11H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)pyrrol-3-yl]propan-2-amine?
1-[1-(difluoromethyl)pyrrol-3-yl]propan-2-amine has a molecular weight of 174.19 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)pyrrol-3-yl]propan-2-amine is sourced from PubChem (CID 66398425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).