6-(2,3-difluorophenyl)-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene

C25H28F2 — CID 139853441

IUPAC6-(2,3-difluorophenyl)-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/C1CCC(C2CCc3cc(-c4cccc(F)c4F)ccc3C2)CC1
InChIInChI=1S/C25H28F2/c1-2-4-17-7-9-18(10-8-17)19-11-12-21-16-22(14-13-20(21)15-19)23-5-3-6-24(26)25(23)27/h2-6,13-14,16-19H,7-12,15H2,1H3/b4-2+
InChIKeyWBLXLBKTFZJSFU-DUXPYHPUSA-N
MW366.50 g/mol
LogP7.12
Rot. Bonds3

About 6-(2,3-difluorophenyl)-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene

6-(2,3-difluorophenyl)-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139853441) has the molecular formula C25H28F2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 6-(2,3-difluorophenyl)-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(2,3-difluorophenyl)-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139853441
Molecular FormulaC25H28F2
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Name6-(2,3-difluorophenyl)-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/C1CCC(C2CCc3cc(-c4cccc(F)c4F)ccc3C2)CC1
InChIInChI=1S/C25H28F2/c1-2-4-17-7-9-18(10-8-17)19-11-12-21-16-22(14-13-20(21)15-19)23-5-3-6-24(26)25(23)27/h2-6,13-14,16-19H,7-12,15H2,1H3/b4-2+
InChIKeyWBLXLBKTFZJSFU-DUXPYHPUSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.50
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-prop-1-enyl]cyclohexyl]-6-[2-(3,4,5-trifluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139853568
5,6,7-trifluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139849595
5-fluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852688
1-fluoro-6-[4-[(E)-prop-1-enyl]cyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 58840095
6-[(E)-prop-1-enyl]-2-[6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 22383907
6-(3,4-difluorophenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139852535
6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139852551
2,3-difluoro-1-[4-[2-fluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]phenyl]phenyl]-4-methylbenzene
CID 67739102
2,6-difluoro-4-[6-[4-[(E)-pent-3-enyl]cyclohexyl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzonitrile
CID 139852942
5-fluoro-2-[4-[(1E)-hexa-1,5-dienyl]cyclohexyl]-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58839991
2-[(4aR,6R,8aR)-6-prop-1-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-heptyl-1,2,3,4-tetrahydronaphthalene
CID 90685714
5-fluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139853585

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenyl)-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(2,3-difluorophenyl)-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene (CID 139853441) is 6-(2,3-difluorophenyl)-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(2,3-difluorophenyl)-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(2,3-difluorophenyl)-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene is C/C=C/C1CCC(C2CCc3cc(-c4cccc(F)c4F)ccc3C2)CC1.
What is the InChIKey of 6-(2,3-difluorophenyl)-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WBLXLBKTFZJSFU-DUXPYHPUSA-N. The full InChI is InChI=1S/C25H28F2/c1-2-4-17-7-9-18(10-8-17)19-11-12-21-16-22(14-13-20(21)15-19)23-5-3-6-24(26)25(23)27/h2-6,13-14,16-19H,7-12,15H2,1H3/b4-2+.
What are the key properties of 6-(2,3-difluorophenyl)-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene?
6-(2,3-difluorophenyl)-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 366.50 g/mol, XLogP of 7.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenyl)-2-[4-[(E)-prop-1-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139853441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).