3-(4,4,4-trifluorobutyl)-2H-pyridine-2,3-diamine

C9H14F3N3 — CID 154315144

IUPAC3-(4,4,4-trifluorobutyl)-2H-pyridine-2,3-diamine
SMILESNC1N=CC=CC1(N)CCCC(F)(F)F
InChIInChI=1S/C9H14F3N3/c10-9(11,12)5-1-3-8(14)4-2-6-15-7(8)13/h2,4,6-7H,1,3,5,13-14H2
InChIKeyQAEKYIDSJPZGKQ-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.34
Rot. Bonds3

About 3-(4,4,4-trifluorobutyl)-2H-pyridine-2,3-diamine

3-(4,4,4-trifluorobutyl)-2H-pyridine-2,3-diamine (PubChem CID 154315144) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutyl)-2H-pyridine-2,3-diamine.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutyl)-2H-pyridine-2,3-diamine
PubChem CID154315144
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name3-(4,4,4-trifluorobutyl)-2H-pyridine-2,3-diamine
SMILESNC1N=CC=CC1(N)CCCC(F)(F)F
InChIInChI=1S/C9H14F3N3/c10-9(11,12)5-1-3-8(14)4-2-6-15-7(8)13/h2,4,6-7H,1,3,5,13-14H2
InChIKeyQAEKYIDSJPZGKQ-UHFFFAOYSA-N
XLogP1.34
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-5-fluoro-2H-pyridine-2,3-diamine
CID 154375476
3-[(2R)-3,3-difluoropent-4-en-2-yl]-2,3-dihydropyridin-2-amine
CID 176663647
3-(3-methylbutyl)-2H-pyridine-2,3-diamine
CID 151850261
3-propyl-2H-pyridin-3-amine
CID 153820405

Frequently Asked Questions

What is the IUPAC name of 3-(4,4,4-trifluorobutyl)-2H-pyridine-2,3-diamine?
The IUPAC name of 3-(4,4,4-trifluorobutyl)-2H-pyridine-2,3-diamine (CID 154315144) is 3-(4,4,4-trifluorobutyl)-2H-pyridine-2,3-diamine.
What is the SMILES notation for 3-(4,4,4-trifluorobutyl)-2H-pyridine-2,3-diamine?
The canonical SMILES for 3-(4,4,4-trifluorobutyl)-2H-pyridine-2,3-diamine is NC1N=CC=CC1(N)CCCC(F)(F)F.
What is the InChIKey of 3-(4,4,4-trifluorobutyl)-2H-pyridine-2,3-diamine?
The InChIKey is QAEKYIDSJPZGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c10-9(11,12)5-1-3-8(14)4-2-6-15-7(8)13/h2,4,6-7H,1,3,5,13-14H2.
What are the key properties of 3-(4,4,4-trifluorobutyl)-2H-pyridine-2,3-diamine?
3-(4,4,4-trifluorobutyl)-2H-pyridine-2,3-diamine has a molecular weight of 221.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutyl)-2H-pyridine-2,3-diamine is sourced from PubChem (CID 154315144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).