1-[1-(difluoromethyl)pyrrol-3-yl]-N-methylmethanamine

C7H10F2N2 — CID 66405503

IUPAC1-[1-(difluoromethyl)pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1ccn(C(F)F)c1
InChIInChI=1S/C7H10F2N2/c1-10-4-6-2-3-11(5-6)7(8)9/h2-3,5,7,10H,4H2,1H3
InChIKeyZGAOOLVQWYSGCY-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.60
Rot. Bonds3

About 1-[1-(difluoromethyl)pyrrol-3-yl]-N-methylmethanamine

1-[1-(difluoromethyl)pyrrol-3-yl]-N-methylmethanamine (PubChem CID 66405503) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)pyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)pyrrol-3-yl]-N-methylmethanamine
PubChem CID66405503
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name1-[1-(difluoromethyl)pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1ccn(C(F)F)c1
InChIInChI=1S/C7H10F2N2/c1-10-4-6-2-3-11(5-6)7(8)9/h2-3,5,7,10H,4H2,1H3
InChIKeyZGAOOLVQWYSGCY-UHFFFAOYSA-N
XLogP1.60
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.60
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]-N-methylmethanamine?
The IUPAC name of 1-[1-(difluoromethyl)pyrrol-3-yl]-N-methylmethanamine (CID 66405503) is 1-[1-(difluoromethyl)pyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(difluoromethyl)pyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(difluoromethyl)pyrrol-3-yl]-N-methylmethanamine is CNCc1ccn(C(F)F)c1.
What is the InChIKey of 1-[1-(difluoromethyl)pyrrol-3-yl]-N-methylmethanamine?
The InChIKey is ZGAOOLVQWYSGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2/c1-10-4-6-2-3-11(5-6)7(8)9/h2-3,5,7,10H,4H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)pyrrol-3-yl]-N-methylmethanamine?
1-[1-(difluoromethyl)pyrrol-3-yl]-N-methylmethanamine has a molecular weight of 160.17 g/mol, XLogP of 1.60, 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]-N-methylmethanamine is sourced from PubChem (CID 66405503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).