N-(3,3,3-trifluoropropyl)pyrrol-1-amine

C7H9F3N2 — CID 79101147

IUPACN-(3,3,3-trifluoropropyl)pyrrol-1-amine
SMILESFC(F)(F)CCNn1cccc1
InChIInChI=1S/C7H9F3N2/c8-7(9,10)3-4-11-12-5-1-2-6-12/h1-2,5-6,11H,3-4H2
InChIKeyKMXKTZKPRSYZSM-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.98
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)pyrrol-1-amine

N-(3,3,3-trifluoropropyl)pyrrol-1-amine (PubChem CID 79101147) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)pyrrol-1-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)pyrrol-1-amine
PubChem CID79101147
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC NameN-(3,3,3-trifluoropropyl)pyrrol-1-amine
SMILESFC(F)(F)CCNn1cccc1
InChIInChI=1S/C7H9F3N2/c8-7(9,10)3-4-11-12-5-1-2-6-12/h1-2,5-6,11H,3-4H2
InChIKeyKMXKTZKPRSYZSM-UHFFFAOYSA-N
XLogP1.98
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)pyrrol-1-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)pyrrol-1-amine (CID 79101147) is N-(3,3,3-trifluoropropyl)pyrrol-1-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)pyrrol-1-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)pyrrol-1-amine is FC(F)(F)CCNn1cccc1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)pyrrol-1-amine?
The InChIKey is KMXKTZKPRSYZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c8-7(9,10)3-4-11-12-5-1-2-6-12/h1-2,5-6,11H,3-4H2.
What are the key properties of N-(3,3,3-trifluoropropyl)pyrrol-1-amine?
N-(3,3,3-trifluoropropyl)pyrrol-1-amine has a molecular weight of 178.16 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)pyrrol-1-amine is sourced from PubChem (CID 79101147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).