1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propan-1-one

C15H11ClF4N2O3 — CID 87567115

IUPAC1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propan-1-one
SMILESO=C(CCc1cnc(Cl)cn1)c1ccc(OC(F)F)c(OC(F)F)c1
InChIInChI=1S/C15H11ClF4N2O3/c16-13-7-21-9(6-22-13)2-3-10(23)8-1-4-11(24-14(17)18)12(5-8)25-15(19)20/h1,4-7,14-15H,2-3H2
InChIKeyQOADTRVSHOSRNJ-UHFFFAOYSA-N
MW378.71 g/mol
LogP4.15
Rot. Bonds8

About 1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propan-1-one

1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propan-1-one (PubChem CID 87567115) has the molecular formula C15H11ClF4N2O3 and a molecular weight of 378.71 g/mol. Its IUPAC name is 1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propan-1-one
PubChem CID87567115
Molecular FormulaC15H11ClF4N2O3
Molecular Weight378.71 g/mol
Exact Mass378.04
IUPAC Name1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propan-1-one
SMILESO=C(CCc1cnc(Cl)cn1)c1ccc(OC(F)F)c(OC(F)F)c1
InChIInChI=1S/C15H11ClF4N2O3/c16-13-7-21-9(6-22-13)2-3-10(23)8-1-4-11(24-14(17)18)12(5-8)25-15(19)20/h1,4-7,14-15H,2-3H2
InChIKeyQOADTRVSHOSRNJ-UHFFFAOYSA-N
XLogP4.15
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.71
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propyl]amino]-N-methyl-2-phenylacetamide
CID 25098187
3-bromo-1-[4-bromo-3-(difluoromethoxy)phenyl]propan-1-one
CID 134623107
3-bromo-1-[4-(difluoromethoxy)-3-fluorophenyl]propan-1-one
CID 134625396
2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone
CID 23204780
2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(3-hydroxycyclopentyl)oxyphenyl]ethanone
CID 57323256
1-[3-butan-2-yloxy-4-(difluoromethoxy)phenyl]-3-methylbutan-1-one
CID 142284690
2-[5-(3-bromopropanoyl)-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134656604
1-[4-(difluoromethoxy)-3-iodophenyl]propan-1-one
CID 118813012
3-[3,4-bis(difluoromethoxy)phenyl]but-2-enoic acid
CID 66604449
1-[3-(difluoromethoxy)-4-iodophenyl]propan-1-one
CID 134622430
3-(1-bromopropoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
CID 140646532
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propan-1-one?
The IUPAC name of 1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propan-1-one (CID 87567115) is 1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propan-1-one.
What is the SMILES notation for 1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propan-1-one?
The canonical SMILES for 1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propan-1-one is O=C(CCc1cnc(Cl)cn1)c1ccc(OC(F)F)c(OC(F)F)c1.
What is the InChIKey of 1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propan-1-one?
The InChIKey is QOADTRVSHOSRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF4N2O3/c16-13-7-21-9(6-22-13)2-3-10(23)8-1-4-11(24-14(17)18)12(5-8)25-15(19)20/h1,4-7,14-15H,2-3H2.
What are the key properties of 1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propan-1-one?
1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propan-1-one has a molecular weight of 378.71 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propan-1-one is sourced from PubChem (CID 87567115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).