1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene

C100H128F6O3 — CID 88626083

IUPAC1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene
SMILESCCCCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)c(F)c2F)cc1.CCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)c(F)c2F)cc1.CCCCCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)c(F)c2F)cc1
InChIInChI=1S/C35H46F2O.C33H42F2O.C32H40F2O/c1-3-5-7-8-9-10-11-12-13-15-27-38-31-23-21-30(22-24-31)33-26-25-32(34(36)35(33)37)29-19-17-28(18-20-29)16-14-6-4-2;1-3-5-7-8-9-10-11-13-25-36-29-21-19-28(20-22-29)31-24-23-30(32(34)33(31)35)27-17-15-26(16-18-27)14-12-6-4-2;1-3-5-7-8-9-10-12-24-35-28-20-18-27(19-21-28)30-23-22-29(31(33)32(30)34)26-16-14-25(15-17-26)13-11-6-4-2/h17-26H,3-16,27H2,1-2H3;15-24H,3-14,25H2,1-2H3;14-23H,3-13,24H2,1-2H3
InChIKeyLVAOUZUVSMJGDC-UHFFFAOYSA-N
MW1492.11 g/mol
LogP32.04
Rot. Bonds49

About 1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene

1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene (PubChem CID 88626083) has the molecular formula C100H128F6O3 and a molecular weight of 1492.11 g/mol. Its IUPAC name is 1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene.

Molecular Properties

Compound Name1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene
PubChem CID88626083
Molecular FormulaC100H128F6O3
Molecular Weight1492.11 g/mol
Exact Mass1490.98
IUPAC Name1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene
SMILESCCCCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)c(F)c2F)cc1.CCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)c(F)c2F)cc1.CCCCCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)c(F)c2F)cc1
InChIInChI=1S/C35H46F2O.C33H42F2O.C32H40F2O/c1-3-5-7-8-9-10-11-12-13-15-27-38-31-23-21-30(22-24-31)33-26-25-32(34(36)35(33)37)29-19-17-28(18-20-29)16-14-6-4-2;1-3-5-7-8-9-10-11-13-25-36-29-21-19-28(20-22-29)31-24-23-30(32(34)33(31)35)27-17-15-26(16-18-27)14-12-6-4-2;1-3-5-7-8-9-10-12-24-35-28-20-18-27(19-21-28)30-23-22-29(31(33)32(30)34)26-16-14-25(15-17-26)13-11-6-4-2/h17-26H,3-16,27H2,1-2H3;15-24H,3-14,25H2,1-2H3;14-23H,3-13,24H2,1-2H3
InChIKeyLVAOUZUVSMJGDC-UHFFFAOYSA-N
XLogP32.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds49
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001492.11
LogP ≤ 532.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-octylphenyl)phenyl]benzene
CID 19108037
7-[4-[2,3-difluoro-4-(4-hexylphenyl)phenyl]phenoxy]heptan-1-ol
CID 91403300
2,3-difluoro-1-(4-octoxyphenyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 19107873
1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene
CID 162480776
2,3-difluoro-1-(4-octoxyphenyl)-4-pentylbenzene
CID 20665389
2-[2,3-difluoro-4-(4-pentoxyphenyl)phenyl]-5-heptylpyrimidine
CID 19771458
2,3-difluoro-1-[4-(4-heptoxyphenyl)phenyl]-4-(4-propoxyphenyl)benzene
CID 19107947
1-[4-(5-cyclohexylpentoxy)phenyl]-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 121459288
1-[4-(4-dodecylphenyl)phenyl]-2,3-difluoro-4-pentoxybenzene
CID 54557700
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
2,3-difluoro-1-[4-(methoxymethyl)phenyl]-4-(4-octoxyphenyl)benzene
CID 59928905

Frequently Asked Questions

What is the IUPAC name of 1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene?
The IUPAC name of 1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene (CID 88626083) is 1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene.
What is the SMILES notation for 1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene?
The canonical SMILES for 1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene is CCCCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)c(F)c2F)cc1.CCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)c(F)c2F)cc1.CCCCCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)c(F)c2F)cc1.
What is the InChIKey of 1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene?
The InChIKey is LVAOUZUVSMJGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46F2O.C33H42F2O.C32H40F2O/c1-3-5-7-8-9-10-11-12-13-15-27-38-31-23-21-30(22-24-31)33-26-25-32(34(36)35(33)37)29-19-17-28(18-20-29)16-14-6-4-2;1-3-5-7-8-9-10-11-13-25-36-29-21-19-28(20-22-29)31-24-23-30(32(34)33(31)35)27-17-15-26(16-18-27)14-12-6-4-2;1-3-5-7-8-9-10-12-24-35-28-20-18-27(19-21-28)30-23-22-29(31(33)32(30)34)26-16-14-25(15-17-26)13-11-6-4-2/h17-26H,3-16,27H2,1-2H3;15-24H,3-14,25H2,1-2H3;14-23H,3-13,24H2,1-2H3.
What are the key properties of 1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene?
1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene has a molecular weight of 1492.11 g/mol, XLogP of 32.04, 49 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-decoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene;2,3-difluoro-1-(4-nonoxyphenyl)-4-(4-pentylphenyl)benzene;1-(4-dodecoxyphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene is sourced from PubChem (CID 88626083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).