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

C23H28F2O — CID 139861294

IUPAC7-but-2-enoxy-1,2-difluoro-3-(4-propylcyclohexyl)naphthalene
SMILESCC=CCOc1ccc2cc(C3CCC(CCC)CC3)c(F)c(F)c2c1
InChIInChI=1S/C23H28F2O/c1-3-5-13-26-19-12-11-18-14-20(22(24)23(25)21(18)15-19)17-9-7-16(6-4-2)8-10-17/h3,5,11-12,14-17H,4,6-10,13H2,1-2H3
InChIKeyVYEXOCRAEHMIDL-UHFFFAOYSA-N
MW358.47 g/mol
LogP7.15
Rot. Bonds6

About 7-but-2-enoxy-1,2-difluoro-3-(4-propylcyclohexyl)naphthalene

7-but-2-enoxy-1,2-difluoro-3-(4-propylcyclohexyl)naphthalene (PubChem CID 139861294) has the molecular formula C23H28F2O and a molecular weight of 358.47 g/mol. Its IUPAC name is 7-but-2-enoxy-1,2-difluoro-3-(4-propylcyclohexyl)naphthalene.

Molecular Properties

Compound Name7-but-2-enoxy-1,2-difluoro-3-(4-propylcyclohexyl)naphthalene
PubChem CID139861294
Molecular FormulaC23H28F2O
Molecular Weight358.47 g/mol
Exact Mass358.21
IUPAC Name7-but-2-enoxy-1,2-difluoro-3-(4-propylcyclohexyl)naphthalene
SMILESCC=CCOc1ccc2cc(C3CCC(CCC)CC3)c(F)c(F)c2c1
InChIInChI=1S/C23H28F2O/c1-3-5-13-26-19-12-11-18-14-20(22(24)23(25)21(18)15-19)17-9-7-16(6-4-2)8-10-17/h3,5,11-12,14-17H,4,6-10,13H2,1-2H3
InChIKeyVYEXOCRAEHMIDL-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 ≤ 500358.47
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-7-ethoxy-1,2-difluoronaphthalene
CID 139862345
7-ethoxy-1,2-difluoro-3-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene
CID 139863036
1,2-difluoro-7-methoxy-3-(4-pentylcyclohexyl)naphthalene
CID 139864071
1,2-difluoro-7-methoxy-3-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene
CID 139863125
2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene
CID 139862836
3-[(E)-but-2-enoxy]-1,2-difluoro-7-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22385232
7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 70228369
3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene
CID 139862921
1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene
CID 139862915
7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene
CID 139860747
1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
CID 139861475
7-[(2R,4aR)-6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-[(E)-but-2-enoxy]-1,2-difluoronaphthalene
CID 20807539

Frequently Asked Questions

What is the IUPAC name of 7-but-2-enoxy-1,2-difluoro-3-(4-propylcyclohexyl)naphthalene?
The IUPAC name of 7-but-2-enoxy-1,2-difluoro-3-(4-propylcyclohexyl)naphthalene (CID 139861294) is 7-but-2-enoxy-1,2-difluoro-3-(4-propylcyclohexyl)naphthalene.
What is the SMILES notation for 7-but-2-enoxy-1,2-difluoro-3-(4-propylcyclohexyl)naphthalene?
The canonical SMILES for 7-but-2-enoxy-1,2-difluoro-3-(4-propylcyclohexyl)naphthalene is CC=CCOc1ccc2cc(C3CCC(CCC)CC3)c(F)c(F)c2c1.
What is the InChIKey of 7-but-2-enoxy-1,2-difluoro-3-(4-propylcyclohexyl)naphthalene?
The InChIKey is VYEXOCRAEHMIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2O/c1-3-5-13-26-19-12-11-18-14-20(22(24)23(25)21(18)15-19)17-9-7-16(6-4-2)8-10-17/h3,5,11-12,14-17H,4,6-10,13H2,1-2H3.
What are the key properties of 7-but-2-enoxy-1,2-difluoro-3-(4-propylcyclohexyl)naphthalene?
7-but-2-enoxy-1,2-difluoro-3-(4-propylcyclohexyl)naphthalene has a molecular weight of 358.47 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 7-but-2-enoxy-1,2-difluoro-3-(4-propylcyclohexyl)naphthalene is sourced from PubChem (CID 139861294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).