1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine

C9H10ClF3N2O — CID 18972749

IUPAC1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine
SMILESCC(N)COc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H10ClF3N2O/c1-5(14)4-16-8-7(10)2-6(3-15-8)9(11,12)13/h2-3,5H,4,14H2,1H3
InChIKeyBLPATFWTSJYHOR-UHFFFAOYSA-N
MW254.64 g/mol
LogP2.48
Rot. Bonds3

About 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine

1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine (PubChem CID 18972749) has the molecular formula C9H10ClF3N2O and a molecular weight of 254.64 g/mol. Its IUPAC name is 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine
PubChem CID18972749
Molecular FormulaC9H10ClF3N2O
Molecular Weight254.64 g/mol
Exact Mass254.04
IUPAC Name1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine
SMILESCC(N)COc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H10ClF3N2O/c1-5(14)4-16-8-7(10)2-6(3-15-8)9(11,12)13/h2-3,5H,4,14H2,1H3
InChIKeyBLPATFWTSJYHOR-UHFFFAOYSA-N
XLogP2.48
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine?
The IUPAC name of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine (CID 18972749) is 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine is CC(N)COc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine?
The InChIKey is BLPATFWTSJYHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O/c1-5(14)4-16-8-7(10)2-6(3-15-8)9(11,12)13/h2-3,5H,4,14H2,1H3.
What are the key properties of 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine?
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine has a molecular weight of 254.64 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 18972749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).