1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene

C16H14F4O2 — CID 19436305

IUPAC1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene
SMILESCCCOc1ccc(-c2ccc(OC(F)F)cc2)c(F)c1F
InChIInChI=1S/C16H14F4O2/c1-2-9-21-13-8-7-12(14(17)15(13)18)10-3-5-11(6-4-10)22-16(19)20/h3-8,16H,2,9H2,1H3
InChIKeyYASXGDSEVOWQDP-UHFFFAOYSA-N
MW314.28 g/mol
LogP5.02
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene

1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene (PubChem CID 19436305) has the molecular formula C16H14F4O2 and a molecular weight of 314.28 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene
PubChem CID19436305
Molecular FormulaC16H14F4O2
Molecular Weight314.28 g/mol
Exact Mass314.09
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene
SMILESCCCOc1ccc(-c2ccc(OC(F)F)cc2)c(F)c1F
InChIInChI=1S/C16H14F4O2/c1-2-9-21-13-8-7-12(14(17)15(13)18)10-3-5-11(6-4-10)22-16(19)20/h3-8,16H,2,9H2,1H3
InChIKeyYASXGDSEVOWQDP-UHFFFAOYSA-N
XLogP5.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.28
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-pentoxybenzene
CID 19436415
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene
CID 145339830
1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene
CID 67799012
1-butoxy-4-[4-[[2,3-difluoro-4-(4-propoxyphenyl)phenyl]methoxy]phenyl]-2,3-difluorobenzene
CID 89430006
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 19107911
1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-methylbenzene
CID 19436579
1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene
CID 134386235
1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 118191581
1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-propoxybenzene
CID 125478760
2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene
CID 143775720
1-[4-[4-(6-bromohexoxy)phenyl]phenyl]-2,3-difluoro-4-octoxybenzene
CID 71442474
2,3-difluoro-1-[4-(4-heptoxyphenyl)phenyl]-4-(4-propoxyphenyl)benzene
CID 19107947

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene (CID 19436305) is 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene is CCCOc1ccc(-c2ccc(OC(F)F)cc2)c(F)c1F.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene?
The InChIKey is YASXGDSEVOWQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4O2/c1-2-9-21-13-8-7-12(14(17)15(13)18)10-3-5-11(6-4-10)22-16(19)20/h3-8,16H,2,9H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene?
1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene has a molecular weight of 314.28 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene is sourced from PubChem (CID 19436305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).