7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene

C23H25F3O — CID 139860747

IUPAC7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene
SMILESC/C=C/COc1ccc2cc(C3CCC(/C=C/C)CC3)c(F)c(F)c2c1F
InChIInChI=1S/C23H25F3O/c1-3-5-13-27-19-12-11-17-14-18(21(24)23(26)20(17)22(19)25)16-9-7-15(6-4-2)8-10-16/h3-6,11-12,14-16H,7-10,13H2,1-2H3/b5-3+,6-4+
InChIKeyKKOWDMHKKPVXQY-GGWOSOGESA-N
MW374.45 g/mol
LogP7.06
Rot. Bonds5

About 7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene

7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene (PubChem CID 139860747) has the molecular formula C23H25F3O and a molecular weight of 374.45 g/mol. Its IUPAC name is 7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene.

Molecular Properties

Compound Name7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene
PubChem CID139860747
Molecular FormulaC23H25F3O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene
SMILESC/C=C/COc1ccc2cc(C3CCC(/C=C/C)CC3)c(F)c(F)c2c1F
InChIInChI=1S/C23H25F3O/c1-3-5-13-27-19-12-11-17-14-18(21(24)23(26)20(17)22(19)25)16-9-7-15(6-4-2)8-10-16/h3-6,11-12,14-16H,7-10,13H2,1-2H3/b5-3+,6-4+
InChIKeyKKOWDMHKKPVXQY-GGWOSOGESA-N
XLogP7.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.45
LogP ≤ 57.06
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

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
7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22383047
1-[(E)-but-2-enoxy]-2,3-difluoro-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-3-enyl]benzene
CID 118886029
1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 134358461
2-[4-[2-[4-[(E)-but-2-enoxy]-2,3-difluorophenyl]ethynyl]-2,3-difluorophenyl]-6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139869329
2-but-2-enoxy-1-fluoro-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139862289
7-but-2-enoxy-1,2-difluoro-3-(4-propylcyclohexyl)naphthalene
CID 139861294
2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 69087569
2-[4-[4-[(E)-but-2-enoxy]-3-fluorophenyl]-2,3-difluorophenyl]-6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866853
1-(2,2-difluoroethoxy)-2,3-difluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 175685885
2,3-difluoro-1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene;methane
CID 158097848
1-[4-(4-ethoxy-3-fluorophenyl)cyclohexyl]-2,3-difluoro-4-(4-prop-1-enylcyclohexyl)benzene
CID 77469245

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene?
The IUPAC name of 7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene (CID 139860747) is 7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene.
What is the SMILES notation for 7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene?
The canonical SMILES for 7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene is C/C=C/COc1ccc2cc(C3CCC(/C=C/C)CC3)c(F)c(F)c2c1F.
What is the InChIKey of 7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene?
The InChIKey is KKOWDMHKKPVXQY-GGWOSOGESA-N. The full InChI is InChI=1S/C23H25F3O/c1-3-5-13-27-19-12-11-17-14-18(21(24)23(26)20(17)22(19)25)16-9-7-15(6-4-2)8-10-16/h3-6,11-12,14-16H,7-10,13H2,1-2H3/b5-3+,6-4+.
What are the key properties of 7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene?
7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene has a molecular weight of 374.45 g/mol, XLogP of 7.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene is sourced from PubChem (CID 139860747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).