2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine

C14H11ClF3N — CID 79757736

IUPAC2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H11ClF3N/c1-8(11-4-2-3-7-19-11)12(15)9-5-6-10(16)14(18)13(9)17/h2-8,12H,1H3
InChIKeyBCYVUDZHQYBRNT-UHFFFAOYSA-N
MW285.70 g/mol
LogP4.58
Rot. Bonds3

About 2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine

2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine (PubChem CID 79757736) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is 2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine
PubChem CID79757736
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Cl)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H11ClF3N/c1-8(11-4-2-3-7-19-11)12(15)9-5-6-10(16)14(18)13(9)17/h2-8,12H,1H3
InChIKeyBCYVUDZHQYBRNT-UHFFFAOYSA-N
XLogP4.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[1-chloro-1-(2,4,6-trifluorophenyl)propan-2-yl]pyridine
CID 66460615
2-[1-chloro-1-(2,3-dichlorophenyl)propan-2-yl]pyridine
CID 66461007
1-(4-chloro-2-fluorophenyl)-N-methyl-2-pyridin-2-ylpropan-1-amine
CID 66448579
N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 62965809
2-[1-chloro-1-(furan-3-yl)propan-2-yl]pyridine
CID 66459402
2-[1-chloro-1-(4-methylsulfanylphenyl)propan-2-yl]pyridine
CID 79206044
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
1-(2,3-difluorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66447218
1-(2-chloro-4-fluorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 66460513
1-(2-bromo-4-chlorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 107995601
2-[1-chloro-1-(3-iodophenyl)propan-2-yl]pyridine
CID 66459396
2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine
CID 66455083

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine?
The IUPAC name of 2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine (CID 79757736) is 2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine.
What is the SMILES notation for 2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine?
The canonical SMILES for 2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine is CC(c1ccccn1)C(Cl)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine?
The InChIKey is BCYVUDZHQYBRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c1-8(11-4-2-3-7-19-11)12(15)9-5-6-10(16)14(18)13(9)17/h2-8,12H,1H3.
What are the key properties of 2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine?
2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine has a molecular weight of 285.70 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine is sourced from PubChem (CID 79757736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).