1,7-dimethyl-5,8-bis(2,2,2-trifluoroethyl)-2,3-dihydronaphthalene

C16H16F6 — CID 88557727

IUPAC1,7-dimethyl-5,8-bis(2,2,2-trifluoroethyl)-2,3-dihydronaphthalene
SMILESCC1=c2c(CC(F)(F)F)c(C)cc(CC(F)(F)F)c2=CCC1
InChIInChI=1S/C16H16F6/c1-9-4-3-5-12-11(7-15(17,18)19)6-10(2)13(14(9)12)8-16(20,21)22/h5-6H,3-4,7-8H2,1-2H3
InChIKeyDMCMMNGYALQMCV-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.95
Rot. Bonds2

About 1,7-dimethyl-5,8-bis(2,2,2-trifluoroethyl)-2,3-dihydronaphthalene

1,7-dimethyl-5,8-bis(2,2,2-trifluoroethyl)-2,3-dihydronaphthalene (PubChem CID 88557727) has the molecular formula C16H16F6 and a molecular weight of 322.29 g/mol. Its IUPAC name is 1,7-dimethyl-5,8-bis(2,2,2-trifluoroethyl)-2,3-dihydronaphthalene.

Molecular Properties

Compound Name1,7-dimethyl-5,8-bis(2,2,2-trifluoroethyl)-2,3-dihydronaphthalene
PubChem CID88557727
Molecular FormulaC16H16F6
Molecular Weight322.29 g/mol
Exact Mass322.12
IUPAC Name1,7-dimethyl-5,8-bis(2,2,2-trifluoroethyl)-2,3-dihydronaphthalene
SMILESCC1=c2c(CC(F)(F)F)c(C)cc(CC(F)(F)F)c2=CCC1
InChIInChI=1S/C16H16F6/c1-9-4-3-5-12-11(7-15(17,18)19)6-10(2)13(14(9)12)8-16(20,21)22/h5-6H,3-4,7-8H2,1-2H3
InChIKeyDMCMMNGYALQMCV-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Hexyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 68177658
1-Butyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 71159948
Lithium 1,3-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)benzene-5-ide
CID 87784739
1-Methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
CID 87921363
1-Ethenyl-2-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methyldec-3-en-4-yl)cyclohexene
CID 88171086
1-Methyl-4-(3,3,4,4,4-pentafluorobutyl)cyclohexa-1,3-diene
CID 88990011
2,6-Difluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 89129174
5-Fluoro-4-methyl-1-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
CID 89129175
1,2,6-Trifluoro-4-[6-fluoro-4-[6-fluoro-4-(6-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
CID 89129289
1-methyl-3-methylidene-2-[(1Z,3Z)-6,6,6-trifluorohexa-1,3-dienyl]cyclohexene
CID 89211227
1-(Cyclohexen-1-yl)-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 89733504
1-(Cyclohexen-1-yl)-4-methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 89733561

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-5,8-bis(2,2,2-trifluoroethyl)-2,3-dihydronaphthalene?
The IUPAC name of 1,7-dimethyl-5,8-bis(2,2,2-trifluoroethyl)-2,3-dihydronaphthalene (CID 88557727) is 1,7-dimethyl-5,8-bis(2,2,2-trifluoroethyl)-2,3-dihydronaphthalene.
What is the SMILES notation for 1,7-dimethyl-5,8-bis(2,2,2-trifluoroethyl)-2,3-dihydronaphthalene?
The canonical SMILES for 1,7-dimethyl-5,8-bis(2,2,2-trifluoroethyl)-2,3-dihydronaphthalene is CC1=c2c(CC(F)(F)F)c(C)cc(CC(F)(F)F)c2=CCC1.
What is the InChIKey of 1,7-dimethyl-5,8-bis(2,2,2-trifluoroethyl)-2,3-dihydronaphthalene?
The InChIKey is DMCMMNGYALQMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F6/c1-9-4-3-5-12-11(7-15(17,18)19)6-10(2)13(14(9)12)8-16(20,21)22/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 1,7-dimethyl-5,8-bis(2,2,2-trifluoroethyl)-2,3-dihydronaphthalene?
1,7-dimethyl-5,8-bis(2,2,2-trifluoroethyl)-2,3-dihydronaphthalene has a molecular weight of 322.29 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-5,8-bis(2,2,2-trifluoroethyl)-2,3-dihydronaphthalene is sourced from PubChem (CID 88557727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).