1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene

C23H32F2O — CID 11462604

IUPAC1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
SMILESCCCC1CCC(C2CC=C(c3ccc(OCC)c(F)c3F)CC2)CC1
InChIInChI=1S/C23H32F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h12,14-18H,3-11,13H2,1-2H3
InChIKeyKBZFOJCDYCIANP-UHFFFAOYSA-N
MW362.50 g/mol
LogP7.15
Rot. Bonds6

About 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene

1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene (PubChem CID 11462604) has the molecular formula C23H32F2O and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
PubChem CID11462604
Molecular FormulaC23H32F2O
Molecular Weight362.50 g/mol
Exact Mass362.24
IUPAC Name1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
SMILESCCCC1CCC(C2CC=C(c3ccc(OCC)c(F)c3F)CC2)CC1
InChIInChI=1S/C23H32F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h12,14-18H,3-11,13H2,1-2H3
InChIKeyKBZFOJCDYCIANP-UHFFFAOYSA-N
XLogP7.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene (CID 11462604) is 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene is CCCC1CCC(C2CC=C(c3ccc(OCC)c(F)c3F)CC2)CC1.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene?
The InChIKey is KBZFOJCDYCIANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h12,14-18H,3-11,13H2,1-2H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene?
1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene has a molecular weight of 362.50 g/mol, XLogP of 7.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene is sourced from PubChem (CID 11462604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).