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

C18H18F4O2 — CID 19436415

IUPAC1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-pentoxybenzene
SMILESCCCCCOc1ccc(-c2ccc(OC(F)F)cc2)c(F)c1F
InChIInChI=1S/C18H18F4O2/c1-2-3-4-11-23-15-10-9-14(16(19)17(15)20)12-5-7-13(8-6-12)24-18(21)22/h5-10,18H,2-4,11H2,1H3
InChIKeyMZNFAJFQKJTZLZ-UHFFFAOYSA-N
MW342.33 g/mol
LogP5.80
Rot. Bonds8

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

1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-pentoxybenzene (PubChem CID 19436415) has the molecular formula C18H18F4O2 and a molecular weight of 342.33 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-pentoxybenzene.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-pentoxybenzene
PubChem CID19436415
Molecular FormulaC18H18F4O2
Molecular Weight342.33 g/mol
Exact Mass342.12
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-pentoxybenzene
SMILESCCCCCOc1ccc(-c2ccc(OC(F)F)cc2)c(F)c1F
InChIInChI=1S/C18H18F4O2/c1-2-3-4-11-23-15-10-9-14(16(19)17(15)20)12-5-7-13(8-6-12)24-18(21)22/h5-10,18H,2-4,11H2,1H3
InChIKeyMZNFAJFQKJTZLZ-UHFFFAOYSA-N
XLogP5.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.33
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene
CID 19436305
1-[4-[4-(6-bromohexoxy)phenyl]phenyl]-2,3-difluoro-4-octoxybenzene
CID 71442474
1-dodecoxy-4-[4-(4-dodecylphenyl)phenyl]-2,3-difluorobenzene
CID 54324637
1-decoxy-2,3-difluoro-4-[4-(4-pentylphenyl)phenyl]benzene
CID 54447288
1-[4-(4-dodecylphenyl)phenyl]-2,3-difluoro-4-pentoxybenzene
CID 54557700
1-(4-ethoxyphenyl)-2,3-difluoro-4-[4-(4-heptoxyphenyl)phenyl]benzene
CID 19107879
1-(4-but-3-enylphenyl)-2,3-difluoro-4-pentoxybenzene
CID 20621671
4-(difluoromethoxy)-2-fluoro-1-[4-(4-hexoxyphenyl)phenyl]benzene
CID 54231348
1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-propoxybenzene
CID 125478760
1-(difluoromethoxy)-2-fluoro-4-[3-fluoro-4-(4-heptoxyphenyl)phenyl]benzene
CID 67799885
1-(difluoromethoxy)-2-fluoro-4-[3-fluoro-4-(4-octoxyphenyl)phenyl]benzene
CID 67798957
(4-hexoxyphenyl) 4-(2,3-difluoro-4-pentoxyphenyl)benzoate
CID 19771459

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-pentoxybenzene?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-pentoxybenzene (CID 19436415) is 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-pentoxybenzene.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-pentoxybenzene?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-pentoxybenzene is CCCCCOc1ccc(-c2ccc(OC(F)F)cc2)c(F)c1F.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-pentoxybenzene?
The InChIKey is MZNFAJFQKJTZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4O2/c1-2-3-4-11-23-15-10-9-14(16(19)17(15)20)12-5-7-13(8-6-12)24-18(21)22/h5-10,18H,2-4,11H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-pentoxybenzene?
1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-pentoxybenzene has a molecular weight of 342.33 g/mol, XLogP of 5.80, 8 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-pentoxybenzene is sourced from PubChem (CID 19436415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).