6-(1,1-difluoropropyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine

C12H18F3N — CID 123753518

IUPAC6-(1,1-difluoropropyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine
SMILESCCC(F)(F)C1=NC(C)CC(F)=C1C(C)C
InChIInChI=1S/C12H18F3N/c1-5-12(14,15)11-10(7(2)3)9(13)6-8(4)16-11/h7-8H,5-6H2,1-4H3
InChIKeyMKRSDLAPLHKNBT-UHFFFAOYSA-N
MW233.28 g/mol
LogP4.14
Rot. Bonds3

About 6-(1,1-difluoropropyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine

6-(1,1-difluoropropyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine (PubChem CID 123753518) has the molecular formula C12H18F3N and a molecular weight of 233.28 g/mol. Its IUPAC name is 6-(1,1-difluoropropyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-(1,1-difluoropropyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine
PubChem CID123753518
Molecular FormulaC12H18F3N
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name6-(1,1-difluoropropyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine
SMILESCCC(F)(F)C1=NC(C)CC(F)=C1C(C)C
InChIInChI=1S/C12H18F3N/c1-5-12(14,15)11-10(7(2)3)9(13)6-8(4)16-11/h7-8H,5-6H2,1-4H3
InChIKeyMKRSDLAPLHKNBT-UHFFFAOYSA-N
XLogP4.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(1,1-Difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine
CID 123923241
7-Methyl-3-(3,3,3-trifluoropropyl)-4,5,6,7,8,9-hexahydrocyclohepta[c]pyridin-2-ium
CID 163734320
(4E)-4-ethylidene-5,5-difluoro-N,2-dimethylheptan-3-imine
CID 171833118
5-(difluoromethyl)-N,2,6-trimethylhept-5-en-3-imine
CID 174320374
6-(1,1-Difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine
CID 162583642
(2R)-6-(1,1-difluoropropyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine
CID 162583643
(2R)-6-(1,1-difluoroethyl)-5-ethyl-4-fluoro-2-methyl-2,3-dihydropyridine
CID 162583644
(2S)-4-fluoro-2-methyl-5-propan-2-yl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 162583645

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoropropyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine?
The IUPAC name of 6-(1,1-difluoropropyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine (CID 123753518) is 6-(1,1-difluoropropyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine.
What is the SMILES notation for 6-(1,1-difluoropropyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine?
The canonical SMILES for 6-(1,1-difluoropropyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine is CCC(F)(F)C1=NC(C)CC(F)=C1C(C)C.
What is the InChIKey of 6-(1,1-difluoropropyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine?
The InChIKey is MKRSDLAPLHKNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N/c1-5-12(14,15)11-10(7(2)3)9(13)6-8(4)16-11/h7-8H,5-6H2,1-4H3.
What are the key properties of 6-(1,1-difluoropropyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine?
6-(1,1-difluoropropyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine has a molecular weight of 233.28 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoropropyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine is sourced from PubChem (CID 123753518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).