4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine

C9H11F3N2 — CID 104736235

IUPAC4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine
SMILESNC(Cc1cccnc1)CC(F)(F)F
InChIInChI=1S/C9H11F3N2/c10-9(11,12)5-8(13)4-7-2-1-3-14-6-7/h1-3,6,8H,4-5,13H2
InChIKeyAHFLSOUPQGVZFS-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.90
Rot. Bonds3

About 4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine

4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine (PubChem CID 104736235) has the molecular formula C9H11F3N2 and a molecular weight of 204.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine
PubChem CID104736235
Molecular FormulaC9H11F3N2
Molecular Weight204.20 g/mol
Exact Mass204.09
IUPAC Name4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine
SMILESNC(Cc1cccnc1)CC(F)(F)F
InChIInChI=1S/C9H11F3N2/c10-9(11,12)5-8(13)4-7-2-1-3-14-6-7/h1-3,6,8H,4-5,13H2
InChIKeyAHFLSOUPQGVZFS-UHFFFAOYSA-N
XLogP1.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine
CID 105206014
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
(1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine
CID 103689442
1-cyclopropyl-3-pyridin-3-ylpropan-2-amine
CID 64906812
1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736345
1-pyridin-3-ylundecan-2-amine
CID 62603230
1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine
CID 104736690
1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol
CID 104736200
2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62791242
1-nitroso-2-pyridin-3-ylethanamine
CID 154954091

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine?
The IUPAC name of 4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine (CID 104736235) is 4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine is NC(Cc1cccnc1)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine?
The InChIKey is AHFLSOUPQGVZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c10-9(11,12)5-8(13)4-7-2-1-3-14-6-7/h1-3,6,8H,4-5,13H2.
What are the key properties of 4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine?
4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine has a molecular weight of 204.20 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 104736235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).