[1-(3,3,3-trifluoropropyl)-2H-pyridin-4-yl]methanamine

C9H13F3N2 — CID 174851700

IUPAC[1-(3,3,3-trifluoropropyl)-2H-pyridin-4-yl]methanamine
SMILESNCC1=CCN(CCC(F)(F)F)C=C1
InChIInChI=1S/C9H13F3N2/c10-9(11,12)3-6-14-4-1-8(7-13)2-5-14/h1-2,4H,3,5-7,13H2
InChIKeySXWVVIDTEWGPEQ-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.65
Rot. Bonds3

About [1-(3,3,3-trifluoropropyl)-2H-pyridin-4-yl]methanamine

[1-(3,3,3-trifluoropropyl)-2H-pyridin-4-yl]methanamine (PubChem CID 174851700) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is [1-(3,3,3-trifluoropropyl)-2H-pyridin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3,3,3-trifluoropropyl)-2H-pyridin-4-yl]methanamine
PubChem CID174851700
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name[1-(3,3,3-trifluoropropyl)-2H-pyridin-4-yl]methanamine
SMILESNCC1=CCN(CCC(F)(F)F)C=C1
InChIInChI=1S/C9H13F3N2/c10-9(11,12)3-6-14-4-1-8(7-13)2-5-14/h1-2,4H,3,5-7,13H2
InChIKeySXWVVIDTEWGPEQ-UHFFFAOYSA-N
XLogP1.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3,3,3-trifluoropropyl)-2H-pyridin-4-yl]methanamine?
The IUPAC name of [1-(3,3,3-trifluoropropyl)-2H-pyridin-4-yl]methanamine (CID 174851700) is [1-(3,3,3-trifluoropropyl)-2H-pyridin-4-yl]methanamine.
What is the SMILES notation for [1-(3,3,3-trifluoropropyl)-2H-pyridin-4-yl]methanamine?
The canonical SMILES for [1-(3,3,3-trifluoropropyl)-2H-pyridin-4-yl]methanamine is NCC1=CCN(CCC(F)(F)F)C=C1.
What is the InChIKey of [1-(3,3,3-trifluoropropyl)-2H-pyridin-4-yl]methanamine?
The InChIKey is SXWVVIDTEWGPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c10-9(11,12)3-6-14-4-1-8(7-13)2-5-14/h1-2,4H,3,5-7,13H2.
What are the key properties of [1-(3,3,3-trifluoropropyl)-2H-pyridin-4-yl]methanamine?
[1-(3,3,3-trifluoropropyl)-2H-pyridin-4-yl]methanamine has a molecular weight of 206.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3,3-trifluoropropyl)-2H-pyridin-4-yl]methanamine is sourced from PubChem (CID 174851700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).