N-[[3-(difluoromethyl)phenyl]methyl]pyrrol-1-amine

C12H12F2N2 — CID 115526603

IUPACN-[[3-(difluoromethyl)phenyl]methyl]pyrrol-1-amine
SMILESFC(F)c1cccc(CNn2cccc2)c1
InChIInChI=1S/C12H12F2N2/c13-12(14)11-5-3-4-10(8-11)9-15-16-6-1-2-7-16/h1-8,12,15H,9H2
InChIKeyNJAXTJIDWYWBQM-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.17
Rot. Bonds4

About N-[[3-(difluoromethyl)phenyl]methyl]pyrrol-1-amine

N-[[3-(difluoromethyl)phenyl]methyl]pyrrol-1-amine (PubChem CID 115526603) has the molecular formula C12H12F2N2 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]pyrrol-1-amine
PubChem CID115526603
Molecular FormulaC12H12F2N2
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]pyrrol-1-amine
SMILESFC(F)c1cccc(CNn2cccc2)c1
InChIInChI=1S/C12H12F2N2/c13-12(14)11-5-3-4-10(8-11)9-15-16-6-1-2-7-16/h1-8,12,15H,9H2
InChIKeyNJAXTJIDWYWBQM-UHFFFAOYSA-N
XLogP3.17
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
5-(Pyridine-4-Yl)-3-(Trifluoromethyl)Pyrazole
CID 2822970
2,4-difluoro-N-[(E)-pyridin-4-ylmethylideneamino]aniline
CID 9660195
2,4-difluoro-N-[(E)-pyridin-3-ylmethylideneamino]aniline
CID 9622667
N-[(E)-pyridin-3-ylmethylideneamino]-2-(trifluoromethyl)aniline
CID 9719580
1-Methyl-3-[3-(trifluoromethyl)phenyl]pyrrole
CID 44456173
US10626095, Example 48
CID 168489678
US10626095, Example 49
CID 168489679
N-phenylaminoazole
CID 13016198
US10626095, Example 143
CID 168489772
2-[3-(Trifluoromethyl)phenyl]pyrrole
CID 11572024
Pyridyltrifluoromethylpyrazole
CID 129859290

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]pyrrol-1-amine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]pyrrol-1-amine (CID 115526603) is N-[[3-(difluoromethyl)phenyl]methyl]pyrrol-1-amine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]pyrrol-1-amine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]pyrrol-1-amine is FC(F)c1cccc(CNn2cccc2)c1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]pyrrol-1-amine?
The InChIKey is NJAXTJIDWYWBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2/c13-12(14)11-5-3-4-10(8-11)9-15-16-6-1-2-7-16/h1-8,12,15H,9H2.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]pyrrol-1-amine?
N-[[3-(difluoromethyl)phenyl]methyl]pyrrol-1-amine has a molecular weight of 222.24 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]pyrrol-1-amine is sourced from PubChem (CID 115526603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).