1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene

C19H26F4O — CID 162516345

IUPAC1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccc(OCC(F)F)c(F)c2F)CC1
InChIInChI=1S/C19H26F4O/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(19(23)18(15)22)24-12-17(20)21/h10-11,13-14,17H,2-9,12H2,1H3
InChIKeyCBZODKHNJWBTSG-UHFFFAOYSA-N
MW346.41 g/mol
LogP6.46
Rot. Bonds8

About 1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene

1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene (PubChem CID 162516345) has the molecular formula C19H26F4O and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene
PubChem CID162516345
Molecular FormulaC19H26F4O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC Name1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene
SMILESCCCCCC1CCC(c2ccc(OCC(F)F)c(F)c2F)CC1
InChIInChI=1S/C19H26F4O/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(19(23)18(15)22)24-12-17(20)21/h10-11,13-14,17H,2-9,12H2,1H3
InChIKeyCBZODKHNJWBTSG-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)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-octoxy-4-(4-octylcyclohexyl)benzene
CID 19103732
2,3-difluoro-1-[4-[2-(4-heptylcyclohexyl)ethyl]cyclohexyl]-4-pentoxybenzene
CID 67896005
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
CID 53418384
1-ethoxy-2,3-difluoro-4-[4-[1-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 19103586
2,3-difluoro-1-methoxy-4-(4-pentylcyclohexyl)benzene
CID 53418387
2,3-difluoro-1-[4-(4-hexylcyclohexyl)cyclohexyl]-4-pentoxybenzene
CID 134358391
1-[2,3-difluoro-4-(4-octylcyclohexyl)phenyl]-2,3-difluoro-4-pentoxybenzene
CID 134358701
2,3-difluoro-1-[4-(4-heptylcyclohexyl)cyclohexyl]-4-propoxybenzene
CID 134358385
1-[2,3-difluoro-4-(4-octylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 134358699
bis[3-[2,3-difluoro-4-(4-pentylcyclohexyl)phenoxy]propoxy]-oxophosphanium
CID 175093052
1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 67895926
1-(4-butylcyclohexyl)-4-(2,3-difluoro-4-nonoxyphenyl)-2,3-difluorobenzene
CID 134358667

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene?
The IUPAC name of 1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene (CID 162516345) is 1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene?
The canonical SMILES for 1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene is CCCCCC1CCC(c2ccc(OCC(F)F)c(F)c2F)CC1.
What is the InChIKey of 1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene?
The InChIKey is CBZODKHNJWBTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F4O/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-11-16(19(23)18(15)22)24-12-17(20)21/h10-11,13-14,17H,2-9,12H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene?
1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene has a molecular weight of 346.41 g/mol, XLogP of 6.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-2,3-difluoro-4-(4-pentylcyclohexyl)benzene is sourced from PubChem (CID 162516345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).