4-methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine

C10H14F3N — CID 172628097

IUPAC4-methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1=CC=NC(C(C)C)C1C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-6(2)9-8(10(11,12)13)7(3)4-5-14-9/h4-6,8-9H,1-3H3
InChIKeyYZOTUXSJYLGVDU-UHFFFAOYSA-N
MW205.22 g/mol
LogP3.22
Rot. Bonds1

About 4-methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine

4-methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 172628097) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID172628097
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name4-methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine
SMILESCC1=CC=NC(C(C)C)C1C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-6(2)9-8(10(11,12)13)7(3)4-5-14-9/h4-6,8-9H,1-3H3
InChIKeyYZOTUXSJYLGVDU-UHFFFAOYSA-N
XLogP3.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
5-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine
CID 118476292
(2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine
CID 118476293
2,5-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyridine
CID 123496912
2-propan-2-yl-4-(1,1,1-trifluoro-3-methylpentan-2-yl)-2H-pyrrole
CID 123776204
(1S)-N,N-dimethyl-6-(methyliminomethyl)-3-(trifluoromethyl)cyclohex-3-en-1-amine
CID 134459387
2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine
CID 135127173
5-(1,1-Difluoroethyl)-2-propyl-2,3-dihydropyridine
CID 135197188
3-Cyclopropyl-2-methyl-5-(trifluoromethyl)-2,3-dihydropyridine
CID 141778769
5-Propan-2-yl-2-(trifluoromethyl)-2,3-dihydropyridine
CID 142093065
5-Fluoro-2-propan-2-yl-2,3-dihydropyridine
CID 153667609
4-Methyl-2-(trifluoromethyl)-2,3-dihydropyridine
CID 154556221

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 4-methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine (CID 172628097) is 4-methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 4-methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 4-methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine is CC1=CC=NC(C(C)C)C1C(F)(F)F.
What is the InChIKey of 4-methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is YZOTUXSJYLGVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-6(2)9-8(10(11,12)13)7(3)4-5-14-9/h4-6,8-9H,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine?
4-methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 205.22 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-3-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 172628097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).