(2R)-2-[chloro(difluoro)methoxy]-5-propyl-1,2-dihydropyridine

C9H12ClF2NO — CID 155160245

IUPAC(2R)-2-[chloro(difluoro)methoxy]-5-propyl-1,2-dihydropyridine
SMILESCCCC1=CN[C@H](OC(F)(F)Cl)C=C1
InChIInChI=1S/C9H12ClF2NO/c1-2-3-7-4-5-8(13-6-7)14-9(10,11)12/h4-6,8,13H,2-3H2,1H3/t8-/m1/s1
InChIKeyXSLDCULBALJYCU-MRVPVSSYSA-N
MW223.65 g/mol
LogP2.96
Rot. Bonds4

About (2R)-2-[chloro(difluoro)methoxy]-5-propyl-1,2-dihydropyridine

(2R)-2-[chloro(difluoro)methoxy]-5-propyl-1,2-dihydropyridine (PubChem CID 155160245) has the molecular formula C9H12ClF2NO and a molecular weight of 223.65 g/mol. Its IUPAC name is (2R)-2-[chloro(difluoro)methoxy]-5-propyl-1,2-dihydropyridine.

Molecular Properties

Compound Name(2R)-2-[chloro(difluoro)methoxy]-5-propyl-1,2-dihydropyridine
PubChem CID155160245
Molecular FormulaC9H12ClF2NO
Molecular Weight223.65 g/mol
Exact Mass223.06
IUPAC Name(2R)-2-[chloro(difluoro)methoxy]-5-propyl-1,2-dihydropyridine
SMILESCCCC1=CN[C@H](OC(F)(F)Cl)C=C1
InChIInChI=1S/C9H12ClF2NO/c1-2-3-7-4-5-8(13-6-7)14-9(10,11)12/h4-6,8,13H,2-3H2,1H3/t8-/m1/s1
InChIKeyXSLDCULBALJYCU-MRVPVSSYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.65
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-2-methoxy-5-methyl-1,2-dihydropyridine
CID 122692047
4-Fluoro-2-methoxy-5-methyl-1,2-dihydropyridine
CID 146384711
2-[2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine
CID 166008876
2-Methoxy-4,5-dimethyl-1,2-dihydropyridine
CID 70287109
2-Methoxy-5-methyl-1,2-dihydropyridine
CID 122692021
Ethane;2-methoxy-5-methyl-1,2-dihydropyridine
CID 144306405
4-Ethyl-2-methoxy-1,2-dihydropyridine
CID 144804739

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[chloro(difluoro)methoxy]-5-propyl-1,2-dihydropyridine?
The IUPAC name of (2R)-2-[chloro(difluoro)methoxy]-5-propyl-1,2-dihydropyridine (CID 155160245) is (2R)-2-[chloro(difluoro)methoxy]-5-propyl-1,2-dihydropyridine.
What is the SMILES notation for (2R)-2-[chloro(difluoro)methoxy]-5-propyl-1,2-dihydropyridine?
The canonical SMILES for (2R)-2-[chloro(difluoro)methoxy]-5-propyl-1,2-dihydropyridine is CCCC1=CN[C@H](OC(F)(F)Cl)C=C1.
What is the InChIKey of (2R)-2-[chloro(difluoro)methoxy]-5-propyl-1,2-dihydropyridine?
The InChIKey is XSLDCULBALJYCU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12ClF2NO/c1-2-3-7-4-5-8(13-6-7)14-9(10,11)12/h4-6,8,13H,2-3H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-[chloro(difluoro)methoxy]-5-propyl-1,2-dihydropyridine?
(2R)-2-[chloro(difluoro)methoxy]-5-propyl-1,2-dihydropyridine has a molecular weight of 223.65 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[chloro(difluoro)methoxy]-5-propyl-1,2-dihydropyridine is sourced from PubChem (CID 155160245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).