5-(difluoromethoxy)-6-propan-2-yl-1,2-dihydropyridine

C9H13F2NO — CID 171833064

IUPAC5-(difluoromethoxy)-6-propan-2-yl-1,2-dihydropyridine
SMILESCC(C)C1=C(OC(F)F)C=CCN1
InChIInChI=1S/C9H13F2NO/c1-6(2)8-7(13-9(10)11)4-3-5-12-8/h3-4,6,9,12H,5H2,1-2H3
InChIKeyPNPJRGDSRONQBV-UHFFFAOYSA-N
MW189.20 g/mol
LogP2.25
Rot. Bonds3

About 5-(difluoromethoxy)-6-propan-2-yl-1,2-dihydropyridine

5-(difluoromethoxy)-6-propan-2-yl-1,2-dihydropyridine (PubChem CID 171833064) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is 5-(difluoromethoxy)-6-propan-2-yl-1,2-dihydropyridine.

Molecular Properties

Compound Name5-(difluoromethoxy)-6-propan-2-yl-1,2-dihydropyridine
PubChem CID171833064
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name5-(difluoromethoxy)-6-propan-2-yl-1,2-dihydropyridine
SMILESCC(C)C1=C(OC(F)F)C=CCN1
InChIInChI=1S/C9H13F2NO/c1-6(2)8-7(13-9(10)11)4-3-5-12-8/h3-4,6,9,12H,5H2,1-2H3
InChIKeyPNPJRGDSRONQBV-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Butoxy-2,6-bis(trifluoromethyl)-1,2-dihydropyridine
CID 122535752
N-[[5-methoxy-2-methyl-6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]propan-1-amine
CID 134316041
6-[(2,2-Difluoroethylamino)methyl]-4-methoxycyclohexa-2,4-dien-1-amine
CID 134333967
2-fluoro-6-methoxy-N-methylcyclohepta-1,4,6-trien-1-amine
CID 134365758
4-(difluoromethoxy)-N-methylcyclohexa-2,4-dien-1-amine
CID 134365782
5-(difluoromethoxy)-N-methylcyclohepta-1,4,6-trien-1-amine
CID 134365783
2,4-Dimethyl-7-(2,2,2-trifluoroethoxy)-1,8a-dihydroquinoline
CID 145509850
2-Propan-2-yl-5-(trifluoromethoxy)-1,2-dihydropyridine
CID 169163178
(1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine
CID 143062489
(4Z,6E)-N-but-1-en-2-yl-6-(2,2-difluoropropoxy)-3-methylideneocta-4,6-dien-2-amine
CID 144096598
N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 149496642
N-methyl-6-methylidene-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 162592896

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-6-propan-2-yl-1,2-dihydropyridine?
The IUPAC name of 5-(difluoromethoxy)-6-propan-2-yl-1,2-dihydropyridine (CID 171833064) is 5-(difluoromethoxy)-6-propan-2-yl-1,2-dihydropyridine.
What is the SMILES notation for 5-(difluoromethoxy)-6-propan-2-yl-1,2-dihydropyridine?
The canonical SMILES for 5-(difluoromethoxy)-6-propan-2-yl-1,2-dihydropyridine is CC(C)C1=C(OC(F)F)C=CCN1.
What is the InChIKey of 5-(difluoromethoxy)-6-propan-2-yl-1,2-dihydropyridine?
The InChIKey is PNPJRGDSRONQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-6(2)8-7(13-9(10)11)4-3-5-12-8/h3-4,6,9,12H,5H2,1-2H3.
What are the key properties of 5-(difluoromethoxy)-6-propan-2-yl-1,2-dihydropyridine?
5-(difluoromethoxy)-6-propan-2-yl-1,2-dihydropyridine has a molecular weight of 189.20 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-6-propan-2-yl-1,2-dihydropyridine is sourced from PubChem (CID 171833064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).