3-chloro-2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine

C9H11ClF3N — CID 155585846

IUPAC3-chloro-2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC(C)C1NC=C(C(F)(F)F)C=C1Cl
InChIInChI=1S/C9H11ClF3N/c1-5(2)8-7(10)3-6(4-14-8)9(11,12)13/h3-5,8,14H,1-2H3
InChIKeyXTEGBBGUWGBAPD-UHFFFAOYSA-N
MW225.64 g/mol
LogP3.18
Rot. Bonds1

About 3-chloro-2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine

3-chloro-2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 155585846) has the molecular formula C9H11ClF3N and a molecular weight of 225.64 g/mol. Its IUPAC name is 3-chloro-2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name3-chloro-2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID155585846
Molecular FormulaC9H11ClF3N
Molecular Weight225.64 g/mol
Exact Mass225.05
IUPAC Name3-chloro-2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC(C)C1NC=C(C(F)(F)F)C=C1Cl
InChIInChI=1S/C9H11ClF3N/c1-5(2)8-7(10)3-6(4-14-8)9(11,12)13/h3-5,8,14H,1-2H3
InChIKeyXTEGBBGUWGBAPD-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 3-chloro-2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine (CID 155585846) is 3-chloro-2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 3-chloro-2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 3-chloro-2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine is CC(C)C1NC=C(C(F)(F)F)C=C1Cl.
What is the InChIKey of 3-chloro-2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is XTEGBBGUWGBAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N/c1-5(2)8-7(10)3-6(4-14-8)9(11,12)13/h3-5,8,14H,1-2H3.
What are the key properties of 3-chloro-2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine?
3-chloro-2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 225.64 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-propan-2-yl-5-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 155585846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).