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

C25H17F5 — CID 138458482

IUPAC6-[4-(cyclohexen-1-yl)phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
SMILESFc1cc2cc(-c3ccc(C4=CCCCC4)cc3)ccc2c(F)c1C#CC(F)(F)F
InChIInChI=1S/C25H17F5/c26-23-15-20-14-19(10-11-21(20)24(27)22(23)12-13-25(28,29)30)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h4,6-11,14-15H,1-3,5H2
InChIKeyVKFOATKRZDPTEP-UHFFFAOYSA-N
MW412.40 g/mol
LogP7.66
Rot. Bonds2

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

6-[4-(cyclohexen-1-yl)phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene (PubChem CID 138458482) has the molecular formula C25H17F5 and a molecular weight of 412.40 g/mol. Its IUPAC name is 6-[4-(cyclohexen-1-yl)phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene.

Molecular Properties

Compound Name6-[4-(cyclohexen-1-yl)phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
PubChem CID138458482
Molecular FormulaC25H17F5
Molecular Weight412.40 g/mol
Exact Mass412.13
IUPAC Name6-[4-(cyclohexen-1-yl)phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
SMILESFc1cc2cc(-c3ccc(C4=CCCCC4)cc3)ccc2c(F)c1C#CC(F)(F)F
InChIInChI=1S/C25H17F5/c26-23-15-20-14-19(10-11-21(20)24(27)22(23)12-13-25(28,29)30)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h4,6-11,14-15H,1-3,5H2
InChIKeyVKFOATKRZDPTEP-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.40
LogP ≤ 57.66
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)-2,6-difluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138458487
1,3-difluoro-6-[[4-(4-methylcyclohexen-1-yl)phenyl]sulfanylmethyl]-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138468701
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-[4-(4-cyclohexyl-2-fluorophenyl)-2,6-difluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138459195
6-[(E)-1,2-difluoro-2-naphthalen-2-ylethenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138458918
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]-5-(4-methylcyclohex-3-en-1-yl)pyridine
CID 138468334
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-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]naphthalen-2-ol
CID 138459111
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
6-[[4-(4-ethenylphenyl)phenyl]-difluoromethoxy]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 162572499

Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclohexen-1-yl)phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
The IUPAC name of 6-[4-(cyclohexen-1-yl)phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene (CID 138458482) is 6-[4-(cyclohexen-1-yl)phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene.
What is the SMILES notation for 6-[4-(cyclohexen-1-yl)phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
The canonical SMILES for 6-[4-(cyclohexen-1-yl)phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene is Fc1cc2cc(-c3ccc(C4=CCCCC4)cc3)ccc2c(F)c1C#CC(F)(F)F.
What is the InChIKey of 6-[4-(cyclohexen-1-yl)phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
The InChIKey is VKFOATKRZDPTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F5/c26-23-15-20-14-19(10-11-21(20)24(27)22(23)12-13-25(28,29)30)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h4,6-11,14-15H,1-3,5H2.
What are the key properties of 6-[4-(cyclohexen-1-yl)phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene?
6-[4-(cyclohexen-1-yl)phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene has a molecular weight of 412.40 g/mol, XLogP of 7.66, 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)phenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene is sourced from PubChem (CID 138458482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).