2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine

C10H17F3N2 — CID 114489678

IUPAC2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
SMILESCCC(CN)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2/c1-2-9(7-14)15-5-3-8(4-6-15)10(11,12)13/h3,9H,2,4-7,14H2,1H3
InChIKeyRVFOUQFZDDWBBO-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.92
Rot. Bonds3

About 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine

2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine (PubChem CID 114489678) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
PubChem CID114489678
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
SMILESCCC(CN)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2/c1-2-9(7-14)15-5-3-8(4-6-15)10(11,12)13/h3,9H,2,4-7,14H2,1H3
InChIKeyRVFOUQFZDDWBBO-UHFFFAOYSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The IUPAC name of 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine (CID 114489678) is 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine.
What is the SMILES notation for 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The canonical SMILES for 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine is CCC(CN)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
The InChIKey is RVFOUQFZDDWBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-2-9(7-14)15-5-3-8(4-6-15)10(11,12)13/h3,9H,2,4-7,14H2,1H3.
What are the key properties of 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine?
2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine has a molecular weight of 222.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine is sourced from PubChem (CID 114489678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).