6-[5-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hexa-1,5-dien-2-yl]-1,2,3,4-tetrahydronaphthalene

C23H25F3 — CID 145021953

IUPAC6-[5-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hexa-1,5-dien-2-yl]-1,2,3,4-tetrahydronaphthalene
SMILESC=C(CCC(=C)c1ccc2c(c1)CCCC2)C1=C(C(F)(F)F)CCC=C1
InChIInChI=1S/C23H25F3/c1-16(19-14-13-18-7-3-4-8-20(18)15-19)11-12-17(2)21-9-5-6-10-22(21)23(24,25)26/h5,9,13-15H,1-4,6-8,10-12H2
InChIKeyOYARMHAPJYHHGE-UHFFFAOYSA-N
MW358.45 g/mol
LogP7.12
Rot. Bonds5

About 6-[5-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hexa-1,5-dien-2-yl]-1,2,3,4-tetrahydronaphthalene

6-[5-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hexa-1,5-dien-2-yl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 145021953) has the molecular formula C23H25F3 and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-[5-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hexa-1,5-dien-2-yl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[5-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hexa-1,5-dien-2-yl]-1,2,3,4-tetrahydronaphthalene
PubChem CID145021953
Molecular FormulaC23H25F3
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name6-[5-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hexa-1,5-dien-2-yl]-1,2,3,4-tetrahydronaphthalene
SMILESC=C(CCC(=C)c1ccc2c(c1)CCCC2)C1=C(C(F)(F)F)CCC=C1
InChIInChI=1S/C23H25F3/c1-16(19-14-13-18-7-3-4-8-20(18)15-19)11-12-17(2)21-9-5-6-10-22(21)23(24,25)26/h5,9,13-15H,1-4,6-8,10-12H2
InChIKeyOYARMHAPJYHHGE-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.45
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-ol
CID 15468364
2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-en-1-amine
CID 82504394
3-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine
CID 139563091
2-[5-(2,3-dihydro-1H-inden-5-yl)hexa-1,5-dien-2-yl]-3-methylpyridine
CID 139563308
1-(2-fluorocyclohepta-1,5-dien-1-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione
CID 138480483
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-4,4,4-trifluoro-3-[3-(trifluoromethyl)phenyl]butan-1-one
CID 56948065
4-amino-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-one
CID 82341441
3-[methyl-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]propanoic acid
CID 82136249
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
1-cyclohepta-1,4,6-trien-1-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione
CID 144689388
but-2-enyl 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 76855279

Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hexa-1,5-dien-2-yl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[5-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hexa-1,5-dien-2-yl]-1,2,3,4-tetrahydronaphthalene (CID 145021953) is 6-[5-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hexa-1,5-dien-2-yl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[5-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hexa-1,5-dien-2-yl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[5-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hexa-1,5-dien-2-yl]-1,2,3,4-tetrahydronaphthalene is C=C(CCC(=C)c1ccc2c(c1)CCCC2)C1=C(C(F)(F)F)CCC=C1.
What is the InChIKey of 6-[5-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hexa-1,5-dien-2-yl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is OYARMHAPJYHHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3/c1-16(19-14-13-18-7-3-4-8-20(18)15-19)11-12-17(2)21-9-5-6-10-22(21)23(24,25)26/h5,9,13-15H,1-4,6-8,10-12H2.
What are the key properties of 6-[5-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hexa-1,5-dien-2-yl]-1,2,3,4-tetrahydronaphthalene?
6-[5-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hexa-1,5-dien-2-yl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 358.45 g/mol, XLogP of 7.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hexa-1,5-dien-2-yl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 145021953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).