(2S)-4-fluoro-2-methyl-5-propan-2-yl-6-(trifluoromethyl)-2,3-dihydropyridine

C10H13F4N — CID 162583645

IUPAC(2S)-4-fluoro-2-methyl-5-propan-2-yl-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC(C)C1=C(F)C[C@H](C)N=C1C(F)(F)F
InChIInChI=1S/C10H13F4N/c1-5(2)8-7(11)4-6(3)15-9(8)10(12,13)14/h5-6H,4H2,1-3H3/t6-/m0/s1
InChIKeyQBDKNJSRXOQABC-LURJTMIESA-N
MW223.21 g/mol
LogP3.66
Rot. Bonds1

About (2S)-4-fluoro-2-methyl-5-propan-2-yl-6-(trifluoromethyl)-2,3-dihydropyridine

(2S)-4-fluoro-2-methyl-5-propan-2-yl-6-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 162583645) has the molecular formula C10H13F4N and a molecular weight of 223.21 g/mol. Its IUPAC name is (2S)-4-fluoro-2-methyl-5-propan-2-yl-6-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name(2S)-4-fluoro-2-methyl-5-propan-2-yl-6-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID162583645
Molecular FormulaC10H13F4N
Molecular Weight223.21 g/mol
Exact Mass223.10
IUPAC Name(2S)-4-fluoro-2-methyl-5-propan-2-yl-6-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC(C)C1=C(F)C[C@H](C)N=C1C(F)(F)F
InChIInChI=1S/C10H13F4N/c1-5(2)8-7(11)4-6(3)15-9(8)10(12,13)14/h5-6H,4H2,1-3H3/t6-/m0/s1
InChIKeyQBDKNJSRXOQABC-LURJTMIESA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-fluoro-2-methyl-5-propan-2-yl-6-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of (2S)-4-fluoro-2-methyl-5-propan-2-yl-6-(trifluoromethyl)-2,3-dihydropyridine (CID 162583645) is (2S)-4-fluoro-2-methyl-5-propan-2-yl-6-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for (2S)-4-fluoro-2-methyl-5-propan-2-yl-6-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for (2S)-4-fluoro-2-methyl-5-propan-2-yl-6-(trifluoromethyl)-2,3-dihydropyridine is CC(C)C1=C(F)C[C@H](C)N=C1C(F)(F)F.
What is the InChIKey of (2S)-4-fluoro-2-methyl-5-propan-2-yl-6-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is QBDKNJSRXOQABC-LURJTMIESA-N. The full InChI is InChI=1S/C10H13F4N/c1-5(2)8-7(11)4-6(3)15-9(8)10(12,13)14/h5-6H,4H2,1-3H3/t6-/m0/s1.
What are the key properties of (2S)-4-fluoro-2-methyl-5-propan-2-yl-6-(trifluoromethyl)-2,3-dihydropyridine?
(2S)-4-fluoro-2-methyl-5-propan-2-yl-6-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 223.21 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-fluoro-2-methyl-5-propan-2-yl-6-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 162583645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).