(2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-pyridine

C14H15F4NO — CID 175233044

IUPAC(2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-pyridine
SMILESC[C@@]1(COC(F)F)CCC(c2ccc(F)cc2F)=CN1
InChIInChI=1S/C14H15F4NO/c1-14(8-20-13(17)18)5-4-9(7-19-14)11-3-2-10(15)6-12(11)16/h2-3,6-7,13,19H,4-5,8H2,1H3/t14-/m0/s1
InChIKeyYRJBECUBASXCGG-AWEZNQCLSA-N
MW289.27 g/mol
LogP3.69
Rot. Bonds4

About (2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-pyridine

(2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-pyridine (PubChem CID 175233044) has the molecular formula C14H15F4NO and a molecular weight of 289.27 g/mol. Its IUPAC name is (2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-pyridine.

Molecular Properties

Compound Name(2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-pyridine
PubChem CID175233044
Molecular FormulaC14H15F4NO
Molecular Weight289.27 g/mol
Exact Mass289.11
IUPAC Name(2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-pyridine
SMILESC[C@@]1(COC(F)F)CCC(c2ccc(F)cc2F)=CN1
InChIInChI=1S/C14H15F4NO/c1-14(8-20-13(17)18)5-4-9(7-19-14)11-3-2-10(15)6-12(11)16/h2-3,6-7,13,19H,4-5,8H2,1H3/t14-/m0/s1
InChIKeyYRJBECUBASXCGG-AWEZNQCLSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
CID 174959767
(2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran
CID 153410094
(2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
CID 153410075
3-(2,4-difluorophenyl)cyclohept-2-en-1-ol
CID 107383480
3-(2,4-difluorophenyl)cyclopent-2-en-1-amine
CID 65174225
[5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol
CID 153410052
(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 175737847
3-(4-ethyl-2-fluorophenyl)-7-fluoro-1,2-dihydronaphthalene
CID 139952241
1-(difluoromethoxymethyl)-2-fluoro-4-isocyanobenzene
CID 169060451
2-(2,4-difluorophenyl)-5-fluoropyridine
CID 130334925
3-(2,4-difluorophenyl)-4-[(4-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 146333330
2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide
CID 21406754

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-pyridine?
The IUPAC name of (2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-pyridine (CID 175233044) is (2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-pyridine.
What is the SMILES notation for (2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-pyridine?
The canonical SMILES for (2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-pyridine is C[C@@]1(COC(F)F)CCC(c2ccc(F)cc2F)=CN1.
What is the InChIKey of (2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-pyridine?
The InChIKey is YRJBECUBASXCGG-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H15F4NO/c1-14(8-20-13(17)18)5-4-9(7-19-14)11-3-2-10(15)6-12(11)16/h2-3,6-7,13,19H,4-5,8H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-pyridine?
(2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-pyridine has a molecular weight of 289.27 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-pyridine is sourced from PubChem (CID 175233044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).