6-[4-(cyclohexen-1-yl)-2,6-difluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene

C25H15F7 — CID 138458487

IUPAC6-[4-(cyclohexen-1-yl)-2,6-difluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
SMILESFc1cc2cc(-c3c(F)cc(C4=CCCCC4)cc3F)ccc2c(F)c1C#CC(F)(F)F
InChIInChI=1S/C25H15F7/c26-20-13-17-10-15(6-7-18(17)24(29)19(20)8-9-25(30,31)32)23-21(27)11-16(12-22(23)28)14-4-2-1-3-5-14/h4,6-7,10-13H,1-3,5H2
InChIKeyIAVLTDVSTIFFEL-UHFFFAOYSA-N
MW448.38 g/mol
LogP7.93
Rot. Bonds2

About 6-[4-(cyclohexen-1-yl)-2,6-difluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene

6-[4-(cyclohexen-1-yl)-2,6-difluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene (PubChem CID 138458487) has the molecular formula C25H15F7 and a molecular weight of 448.38 g/mol. Its IUPAC name is 6-[4-(cyclohexen-1-yl)-2,6-difluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene.

Molecular Properties

Compound Name6-[4-(cyclohexen-1-yl)-2,6-difluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
PubChem CID138458487
Molecular FormulaC25H15F7
Molecular Weight448.38 g/mol
Exact Mass448.11
IUPAC Name6-[4-(cyclohexen-1-yl)-2,6-difluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
SMILESFc1cc2cc(-c3c(F)cc(C4=CCCCC4)cc3F)ccc2c(F)c1C#CC(F)(F)F
InChIInChI=1S/C25H15F7/c26-20-13-17-10-15(6-7-18(17)24(29)19(20)8-9-25(30,31)32)23-21(27)11-16(12-22(23)28)14-4-2-1-3-5-14/h4,6-7,10-13H,1-3,5H2
InChIKeyIAVLTDVSTIFFEL-UHFFFAOYSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.38
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(cyclohexen-1-yl)phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138458482
6-[4-(4-cyclohexyl-2-fluorophenyl)-2,6-difluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138459195
6-[2,6-difluoro-4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138458336
6-[2,6-difluoro-4-[(E)-2-(2-fluoro-4-methylphenyl)ethenyl]phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138468414
2-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-1,3-difluoro-6-(4-methylcyclohexen-1-yl)naphthalene
CID 138468125
6-[1,3-difluoro-6-(4-prop-2-enylphenyl)naphthalen-2-yl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138459021
6-[1,3-difluoro-6-(1-fluoro-6-methylnaphthalen-2-yl)naphthalen-2-yl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138468735
1,3-difluoro-6-[[4-(4-methylcyclohexen-1-yl)phenyl]sulfanylmethyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138468701
6-[[2,6-difluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138468373
2-[6-[4-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]-3,5-difluorophenyl]-5,7-difluoronaphthalen-2-yl]oxane
CID 138458804
6-[(E)-1,2-difluoro-2-naphthalen-2-ylethenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138458918
2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]-5-(4-methylcyclohex-3-en-1-yl)pyridine
CID 138468334

Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclohexen-1-yl)-2,6-difluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
The IUPAC name of 6-[4-(cyclohexen-1-yl)-2,6-difluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene (CID 138458487) is 6-[4-(cyclohexen-1-yl)-2,6-difluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene.
What is the SMILES notation for 6-[4-(cyclohexen-1-yl)-2,6-difluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
The canonical SMILES for 6-[4-(cyclohexen-1-yl)-2,6-difluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene is Fc1cc2cc(-c3c(F)cc(C4=CCCCC4)cc3F)ccc2c(F)c1C#CC(F)(F)F.
What is the InChIKey of 6-[4-(cyclohexen-1-yl)-2,6-difluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
The InChIKey is IAVLTDVSTIFFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F7/c26-20-13-17-10-15(6-7-18(17)24(29)19(20)8-9-25(30,31)32)23-21(27)11-16(12-22(23)28)14-4-2-1-3-5-14/h4,6-7,10-13H,1-3,5H2.
What are the key properties of 6-[4-(cyclohexen-1-yl)-2,6-difluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
6-[4-(cyclohexen-1-yl)-2,6-difluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene has a molecular weight of 448.38 g/mol, XLogP of 7.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclohexen-1-yl)-2,6-difluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene is sourced from PubChem (CID 138458487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).