1-ethoxy-2,3-difluoro-4-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene

C19H25F3O — CID 67992192

IUPAC1-ethoxy-2,3-difluoro-4-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene
SMILESCCCC1CCC(C=C(F)c2ccc(OCC)c(F)c2F)CC1
InChIInChI=1S/C19H25F3O/c1-3-5-13-6-8-14(9-7-13)12-16(20)15-10-11-17(23-4-2)19(22)18(15)21/h10-14H,3-9H2,1-2H3
InChIKeyVZOFMWLBZJMLRX-UHFFFAOYSA-N
MW326.40 g/mol
LogP6.28
Rot. Bonds6

About 1-ethoxy-2,3-difluoro-4-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene

1-ethoxy-2,3-difluoro-4-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene (PubChem CID 67992192) has the molecular formula C19H25F3O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene
PubChem CID67992192
Molecular FormulaC19H25F3O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name1-ethoxy-2,3-difluoro-4-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene
SMILESCCCC1CCC(C=C(F)c2ccc(OCC)c(F)c2F)CC1
InChIInChI=1S/C19H25F3O/c1-3-5-13-6-8-14(9-7-13)12-16(20)15-10-11-17(23-4-2)19(22)18(15)21/h10-14H,3-9H2,1-2H3
InChIKeyVZOFMWLBZJMLRX-UHFFFAOYSA-N
XLogP6.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]phenoxy]methyl]cyclohexane-1-carbaldehyde
CID 102522412
1-(4-ethoxy-2,3-difluorophenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexan-1-ol
CID 151722101
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]benzene
CID 154607351
1-ethoxy-2,3-difluoro-4-[(E)-3-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enoxy]benzene
CID 20816615
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
1-[1,1-difluoro-3-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]propoxy]-4-ethoxy-2,3-difluorobenzene
CID 59049009
[2-(difluoromethyl)-4-ethoxy-3-fluorophenyl]-(4-propylcyclohexyl)methanone
CID 118287310
2-[(4-ethoxy-2,3-difluorophenoxy)methyl]-6-[(E)-2-(4-propylcyclohexyl)ethenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967247
1-[2-[4-[(Z)-2,4-difluorobut-1-enyl]cyclohexyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 118316550
1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene
CID 123762040
1-ethoxy-2,3-difluoro-4-[4-[(E)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]cyclohexyl]benzene
CID 118886124
1-[4-(2,2-difluoroethenyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(Z)-2-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene;1-ethoxy-2,3-difluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
CID 158045404

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene (CID 67992192) is 1-ethoxy-2,3-difluoro-4-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene is CCCC1CCC(C=C(F)c2ccc(OCC)c(F)c2F)CC1.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene?
The InChIKey is VZOFMWLBZJMLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3O/c1-3-5-13-6-8-14(9-7-13)12-16(20)15-10-11-17(23-4-2)19(22)18(15)21/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene?
1-ethoxy-2,3-difluoro-4-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene has a molecular weight of 326.40 g/mol, XLogP of 6.28, 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-[1-fluoro-2-(4-propylcyclohexyl)ethenyl]benzene is sourced from PubChem (CID 67992192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).