N-(2,2,2-trifluoroethyl)pyrrol-1-amine

C6H7F3N2 — CID 79101452

IUPACN-(2,2,2-trifluoroethyl)pyrrol-1-amine
SMILESFC(F)(F)CNn1cccc1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)5-10-11-3-1-2-4-11/h1-4,10H,5H2
InChIKeySCJMUNWFMZOUKF-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.59
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)pyrrol-1-amine

N-(2,2,2-trifluoroethyl)pyrrol-1-amine (PubChem CID 79101452) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)pyrrol-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)pyrrol-1-amine
PubChem CID79101452
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC NameN-(2,2,2-trifluoroethyl)pyrrol-1-amine
SMILESFC(F)(F)CNn1cccc1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)5-10-11-3-1-2-4-11/h1-4,10H,5H2
InChIKeySCJMUNWFMZOUKF-UHFFFAOYSA-N
XLogP1.59
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Aminopyrrole
CID 136589
1-(Dimethylamino)pyrrole
CID 573527
N-methyl-1H-pyrrol-1-amine
CID 14232103
3-methyl-1H-pyrrol-1-amine
CID 119082985
1-(Trifluoromethyl)-1H-pyrrole
CID 18537696
N-difluoromethylazole
CID 63810483
N-(difluoroamino)azole
CID 57507072
methyl N-(3-fluoropyrrol-1-yl)carbamate
CID 177851270
Pyrrolazide
CID 22178184
N-pyrrol-1-ylformamide
CID 56980626
1-(2,3-Dihydropyrrol-1-yl)pyrrole
CID 57220578
N-ureidopyrrole
CID 66968528

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)pyrrol-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)pyrrol-1-amine (CID 79101452) is N-(2,2,2-trifluoroethyl)pyrrol-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)pyrrol-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)pyrrol-1-amine is FC(F)(F)CNn1cccc1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)pyrrol-1-amine?
The InChIKey is SCJMUNWFMZOUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c7-6(8,9)5-10-11-3-1-2-4-11/h1-4,10H,5H2.
What are the key properties of N-(2,2,2-trifluoroethyl)pyrrol-1-amine?
N-(2,2,2-trifluoroethyl)pyrrol-1-amine has a molecular weight of 164.13 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)pyrrol-1-amine is sourced from PubChem (CID 79101452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).