2,3,4,5,6-pentafluoro-N-(pyrrolidin-3-ylmethyl)aniline

C11H11F5N2 — CID 80563716

IUPAC2,3,4,5,6-pentafluoro-N-(pyrrolidin-3-ylmethyl)aniline
SMILESFc1c(F)c(F)c(NCC2CCNC2)c(F)c1F
InChIInChI=1S/C11H11F5N2/c12-6-7(13)9(15)11(10(16)8(6)14)18-4-5-1-2-17-3-5/h5,17-18H,1-4H2
InChIKeyQPFONHPAQYOBLF-UHFFFAOYSA-N
MW266.21 g/mol
LogP2.40
Rot. Bonds3

About 2,3,4,5,6-pentafluoro-N-(pyrrolidin-3-ylmethyl)aniline

2,3,4,5,6-pentafluoro-N-(pyrrolidin-3-ylmethyl)aniline (PubChem CID 80563716) has the molecular formula C11H11F5N2 and a molecular weight of 266.21 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(pyrrolidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(pyrrolidin-3-ylmethyl)aniline
PubChem CID80563716
Molecular FormulaC11H11F5N2
Molecular Weight266.21 g/mol
Exact Mass266.08
IUPAC Name2,3,4,5,6-pentafluoro-N-(pyrrolidin-3-ylmethyl)aniline
SMILESFc1c(F)c(F)c(NCC2CCNC2)c(F)c1F
InChIInChI=1S/C11H11F5N2/c12-6-7(13)9(15)11(10(16)8(6)14)18-4-5-1-2-17-3-5/h5,17-18H,1-4H2
InChIKeyQPFONHPAQYOBLF-UHFFFAOYSA-N
XLogP2.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208554
4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208583
2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline
CID 82818461
N-(pyrrolidin-3-ylmethyl)aniline
CID 12889914
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
5-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 80563182
4-phenyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 63006481
N-(pyrrolidin-3-ylmethyl)cyclopropanamine;dihydrochloride
CID 139036091
4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 97163818
N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
CID 96996514
N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine
CID 112709455
N-(pyrrolidin-3-ylmethyl)-1,3-oxazol-4-amine
CID 22560251

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(pyrrolidin-3-ylmethyl)aniline?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(pyrrolidin-3-ylmethyl)aniline (CID 80563716) is 2,3,4,5,6-pentafluoro-N-(pyrrolidin-3-ylmethyl)aniline.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(pyrrolidin-3-ylmethyl)aniline?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(pyrrolidin-3-ylmethyl)aniline is Fc1c(F)c(F)c(NCC2CCNC2)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(pyrrolidin-3-ylmethyl)aniline?
The InChIKey is QPFONHPAQYOBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2/c12-6-7(13)9(15)11(10(16)8(6)14)18-4-5-1-2-17-3-5/h5,17-18H,1-4H2.
What are the key properties of 2,3,4,5,6-pentafluoro-N-(pyrrolidin-3-ylmethyl)aniline?
2,3,4,5,6-pentafluoro-N-(pyrrolidin-3-ylmethyl)aniline has a molecular weight of 266.21 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(pyrrolidin-3-ylmethyl)aniline is sourced from PubChem (CID 80563716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).