1-but-1-enoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene

C19H26F2O — CID 123313096

IUPAC1-but-1-enoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene
SMILESCCC=COc1ccc(C2CCC(CCC)CC2)c(F)c1F
InChIInChI=1S/C19H26F2O/c1-3-5-13-22-17-12-11-16(18(20)19(17)21)15-9-7-14(6-4-2)8-10-15/h5,11-15H,3-4,6-10H2,1-2H3
InChIKeyPCJHOBMQUAPEKE-UHFFFAOYSA-N
MW308.41 g/mol
LogP6.34
Rot. Bonds6

About 1-but-1-enoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene

1-but-1-enoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene (PubChem CID 123313096) has the molecular formula C19H26F2O and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-but-1-enoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-but-1-enoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene
PubChem CID123313096
Molecular FormulaC19H26F2O
Molecular Weight308.41 g/mol
Exact Mass308.20
IUPAC Name1-but-1-enoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene
SMILESCCC=COc1ccc(C2CCC(CCC)CC2)c(F)c1F
InChIInChI=1S/C19H26F2O/c1-3-5-13-22-17-12-11-16(18(20)19(17)21)15-9-7-14(6-4-2)8-10-15/h5,11-15H,3-4,6-10H2,1-2H3
InChIKeyPCJHOBMQUAPEKE-UHFFFAOYSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.41
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-but-1-enoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 123220405
2,3-difluoro-1-pent-1-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 123247924
2,3-difluoro-1-[(Z)-prop-1-enoxy]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358464
2,3-difluoro-1-prop-1-enoxy-4-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]benzene
CID 123809701
1-but-1-enoxy-4-[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenyl]-2,3-difluorobenzene
CID 77345581
1-[2,3-difluoro-4-[(E)-prop-1-enoxy]phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 90161636
2,3-difluoro-1-[(E)-prop-1-enoxy]-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]cyclohexyl]benzene
CID 90161651
1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 67895926
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467
1-(4-ethylcyclohexyl)-2,3-difluoro-4-(3-propylcyclopentyl)oxybenzene
CID 174722829
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]benzene
CID 154607351
1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene
CID 118312086

Frequently Asked Questions

What is the IUPAC name of 1-but-1-enoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-but-1-enoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene (CID 123313096) is 1-but-1-enoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-but-1-enoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-but-1-enoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene is CCC=COc1ccc(C2CCC(CCC)CC2)c(F)c1F.
What is the InChIKey of 1-but-1-enoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
The InChIKey is PCJHOBMQUAPEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2O/c1-3-5-13-22-17-12-11-16(18(20)19(17)21)15-9-7-14(6-4-2)8-10-15/h5,11-15H,3-4,6-10H2,1-2H3.
What are the key properties of 1-but-1-enoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene?
1-but-1-enoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene has a molecular weight of 308.41 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 123313096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).